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(-)tests/C/Makefile.am (-3 lines)
Lines 21-28 Link Here
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	cp $(top_srcdir)/tests/inguess.dat .
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	cp $(top_srcdir)/tests/inguess.dat .
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check: $(PPFILES) inguess.dat
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check: $(PPFILES) inguess.dat
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	cp -f $(top_srcdir)/tests/C/input.dat .
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	cp -f $(top_srcdir)/tests/C/posinp .
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	cp -f $(top_srcdir)/tests/C/occup.dat .
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	$(run_parallel) $(top_builddir)/src/cluster > C.out
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	$(run_parallel) $(top_builddir)/src/cluster > C.out
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	python $(top_srcdir)/tests/fldiff.py --bigdft C.out $(top_srcdir)/tests/Refs/C.out.ref | tee fldiff.report
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	python $(top_srcdir)/tests/fldiff.py --bigdft C.out $(top_srcdir)/tests/Refs/C.out.ref | tee fldiff.report
(-)tests/C/Makefile.in (-3 lines)
Lines 488-496 Link Here
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	cp $(top_srcdir)/tests/inguess.dat .
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	cp $(top_srcdir)/tests/inguess.dat .
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check: $(PPFILES) inguess.dat
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check: $(PPFILES) inguess.dat
491
	cp -f $(top_srcdir)/tests/C/input.dat .
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	cp -f $(top_srcdir)/tests/C/posinp .
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	cp -f $(top_srcdir)/tests/C/occup.dat .
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	$(run_parallel) $(top_builddir)/src/cluster > C.out
491
	$(run_parallel) $(top_builddir)/src/cluster > C.out
495
	python $(top_srcdir)/tests/fldiff.py --bigdft C.out $(top_srcdir)/tests/Refs/C.out.ref | tee fldiff.report
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	python $(top_srcdir)/tests/fldiff.py --bigdft C.out $(top_srcdir)/tests/Refs/C.out.ref | tee fldiff.report
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# Tell versions [3.59,3.63) of GNU make to not export all variables.
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# Tell versions [3.59,3.63) of GNU make to not export all variables.
(-)tests/Ca2/Makefile.am (-2 lines)
Lines 20-26 Link Here
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	cp $(top_srcdir)/tests/inguess.dat .
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	cp $(top_srcdir)/tests/inguess.dat .
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check: $(PPFILES) inguess.dat 
22
check: $(PPFILES) inguess.dat 
23
	cp -f $(top_srcdir)/tests/Ca2/input.dat .
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	cp -f $(top_srcdir)/tests/Ca2/posinp .
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	$(run_parallel) $(top_builddir)/src/cluster > Ca2.out
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	$(run_parallel) $(top_builddir)/src/cluster > Ca2.out
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	python $(top_srcdir)/tests/fldiff.py --bigdft --discrepancy=4.e-10 Ca2.out $(top_srcdir)/tests/Refs/Ca2.out.ref | tee fldiff.report
24
	python $(top_srcdir)/tests/fldiff.py --bigdft --discrepancy=4.e-10 Ca2.out $(top_srcdir)/tests/Refs/Ca2.out.ref | tee fldiff.report
(-)tests/Ca2/Makefile.in (-2 lines)
Lines 487-494 Link Here
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	cp $(top_srcdir)/tests/inguess.dat .
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	cp $(top_srcdir)/tests/inguess.dat .
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check: $(PPFILES) inguess.dat 
489
check: $(PPFILES) inguess.dat 
490
	cp -f $(top_srcdir)/tests/Ca2/input.dat .
491
	cp -f $(top_srcdir)/tests/Ca2/posinp .
492
	$(run_parallel) $(top_builddir)/src/cluster > Ca2.out
490
	$(run_parallel) $(top_builddir)/src/cluster > Ca2.out
493
	python $(top_srcdir)/tests/fldiff.py --bigdft --discrepancy=4.e-10 Ca2.out $(top_srcdir)/tests/Refs/Ca2.out.ref | tee fldiff.report
491
	python $(top_srcdir)/tests/fldiff.py --bigdft --discrepancy=4.e-10 Ca2.out $(top_srcdir)/tests/Refs/Ca2.out.ref | tee fldiff.report
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# Tell versions [3.59,3.63) of GNU make to not export all variables.
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# Tell versions [3.59,3.63) of GNU make to not export all variables.
(-)tests/Davidson-SiH4/Makefile.am (-2 lines)
Lines 18-24 Link Here
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	cp $(top_srcdir)/utils/PSPfiles/$@ .
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	cp $(top_srcdir)/utils/PSPfiles/$@ .
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check: $(PPFILES)
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check: $(PPFILES)
21
	cp -f $(top_srcdir)/tests/Davidson-SiH4/input.dat .
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	cp -f $(top_srcdir)/tests/Davidson-SiH4/posinp .
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	$(run_parallel) $(top_builddir)/src/cluster > Davidson-SiH4.out
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	$(run_parallel) $(top_builddir)/src/cluster > Davidson-SiH4.out
24
	python $(top_srcdir)/tests/fldiff.py --bigdft Davidson-SiH4.out $(top_srcdir)/tests/Refs/Davidson-SiH4.out.ref | tee fldiff.report
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	python $(top_srcdir)/tests/fldiff.py --bigdft Davidson-SiH4.out $(top_srcdir)/tests/Refs/Davidson-SiH4.out.ref | tee fldiff.report
(-)tests/Davidson-SiH4/Makefile.in (-2 lines)
Lines 485-492 Link Here
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	cp $(top_srcdir)/utils/PSPfiles/$@ .
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	cp $(top_srcdir)/utils/PSPfiles/$@ .
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check: $(PPFILES)
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check: $(PPFILES)
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	cp -f $(top_srcdir)/tests/Davidson-SiH4/input.dat .
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	cp -f $(top_srcdir)/tests/Davidson-SiH4/posinp .
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	$(run_parallel) $(top_builddir)/src/cluster > Davidson-SiH4.out
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	$(run_parallel) $(top_builddir)/src/cluster > Davidson-SiH4.out
491
	python $(top_srcdir)/tests/fldiff.py --bigdft Davidson-SiH4.out $(top_srcdir)/tests/Refs/Davidson-SiH4.out.ref | tee fldiff.report
489
	python $(top_srcdir)/tests/fldiff.py --bigdft Davidson-SiH4.out $(top_srcdir)/tests/Refs/Davidson-SiH4.out.ref | tee fldiff.report
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# Tell versions [3.59,3.63) of GNU make to not export all variables.
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# Tell versions [3.59,3.63) of GNU make to not export all variables.
(-)tests/GPU/Makefile.am (-3 lines)
Lines 18-25 Link Here
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	cp $(top_srcdir)/utils/PSPfiles/HGH/$@ .
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	cp $(top_srcdir)/utils/PSPfiles/HGH/$@ .
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check: $(PPFILES) 
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check: $(PPFILES) 
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	cp -f $(top_srcdir)/tests/GPU/input.dat .
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	cp -f $(top_srcdir)/tests/GPU/posinp .
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	cp -f $(top_srcdir)/tests/GPU/cpu_gpu_aff.config .
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	$(top_builddir)/src/cluster > GPU.out
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	$(top_builddir)/src/cluster > GPU.out
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	python $(top_srcdir)/tests/fldiff.py --bigdft GPU.out $(top_srcdir)/tests/Refs/GPU.out.ref | tee fldiff.report
22
	python $(top_srcdir)/tests/fldiff.py --bigdft GPU.out $(top_srcdir)/tests/Refs/GPU.out.ref | tee fldiff.report
(-)tests/GPU/Makefile.in (-3 lines)
Lines 485-493 Link Here
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	cp $(top_srcdir)/utils/PSPfiles/HGH/$@ .
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	cp $(top_srcdir)/utils/PSPfiles/HGH/$@ .
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check: $(PPFILES) 
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check: $(PPFILES) 
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	cp -f $(top_srcdir)/tests/GPU/input.dat .
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	cp -f $(top_srcdir)/tests/GPU/posinp .
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	cp -f $(top_srcdir)/tests/GPU/cpu_gpu_aff.config .
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	$(top_builddir)/src/cluster > GPU.out
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	$(top_builddir)/src/cluster > GPU.out
492
	python $(top_srcdir)/tests/fldiff.py --bigdft GPU.out $(top_srcdir)/tests/Refs/GPU.out.ref | tee fldiff.report
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	python $(top_srcdir)/tests/fldiff.py --bigdft GPU.out $(top_srcdir)/tests/Refs/GPU.out.ref | tee fldiff.report
493
# Tell versions [3.59,3.63) of GNU make to not export all variables.
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# Tell versions [3.59,3.63) of GNU make to not export all variables.
(-)tests/H/Makefile.am (-2 lines)
Lines 17-24 Link Here
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	cp $(top_srcdir)/utils/PSPfiles/$@ .
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	cp $(top_srcdir)/utils/PSPfiles/$@ .
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check: $(PPFILES) 
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check: $(PPFILES) 
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	cp -f $(top_srcdir)/tests/H/input.dat .
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	cp -f $(top_srcdir)/tests/H/posinp .
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	$(top_builddir)/src/memguess 1 > H.memguess
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	$(top_builddir)/src/memguess 1 > H.memguess
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	python $(top_srcdir)/tests/fldiff.py --bigdft H.memguess $(top_srcdir)/tests/Refs/H.memguess.ref | cat
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	python $(top_srcdir)/tests/fldiff.py --bigdft H.memguess $(top_srcdir)/tests/Refs/H.memguess.ref | cat
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	$(run_parallel) $(top_builddir)/src/cluster > H.out
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	$(run_parallel) $(top_builddir)/src/cluster > H.out
(-)tests/H/Makefile.in (-2 lines)
Lines 484-491 Link Here
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	cp $(top_srcdir)/utils/PSPfiles/$@ .
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	cp $(top_srcdir)/utils/PSPfiles/$@ .
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check: $(PPFILES) 
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check: $(PPFILES) 
487
	cp -f $(top_srcdir)/tests/H/input.dat .
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	cp -f $(top_srcdir)/tests/H/posinp .
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	$(top_builddir)/src/memguess 1 > H.memguess
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	$(top_builddir)/src/memguess 1 > H.memguess
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	python $(top_srcdir)/tests/fldiff.py --bigdft H.memguess $(top_srcdir)/tests/Refs/H.memguess.ref | cat
488
	python $(top_srcdir)/tests/fldiff.py --bigdft H.memguess $(top_srcdir)/tests/Refs/H.memguess.ref | cat
491
	$(run_parallel) $(top_builddir)/src/cluster > H.out
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	$(run_parallel) $(top_builddir)/src/cluster > H.out
(-)tests/H-spin/Makefile.am (-2 lines)
Lines 18-24 Link Here
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check: $(PPFILES) posinp input.dat
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check: $(PPFILES) posinp input.dat
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	cp -f $(top_srcdir)/tests/H-spin/input.dat .
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	cp -f $(top_srcdir)/tests/H-spin/posinp .
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	$(run_parallel) $(top_builddir)/src/cluster > H-spin.out
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	$(run_parallel) $(top_builddir)/src/cluster > H-spin.out
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	python $(top_srcdir)/tests/fldiff.py --bigdft H-spin.out $(top_srcdir)/tests/Refs/H-spin.out.ref | tee fldiff.report
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	python $(top_srcdir)/tests/fldiff.py --bigdft H-spin.out $(top_srcdir)/tests/Refs/H-spin.out.ref | tee fldiff.report
(-)tests/H-spin/Makefile.in (-2 lines)
Lines 484-491 Link Here
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	cp $(top_srcdir)/utils/PSPfiles/HGH/$@ .
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	cp $(top_srcdir)/utils/PSPfiles/HGH/$@ .
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check: $(PPFILES) posinp input.dat
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check: $(PPFILES) posinp input.dat
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	cp -f $(top_srcdir)/tests/H-spin/input.dat .
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	cp -f $(top_srcdir)/tests/H-spin/posinp .
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	$(run_parallel) $(top_builddir)/src/cluster > H-spin.out
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	$(run_parallel) $(top_builddir)/src/cluster > H-spin.out
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	python $(top_srcdir)/tests/fldiff.py --bigdft H-spin.out $(top_srcdir)/tests/Refs/H-spin.out.ref | tee fldiff.report
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	python $(top_srcdir)/tests/fldiff.py --bigdft H-spin.out $(top_srcdir)/tests/Refs/H-spin.out.ref | tee fldiff.report
491
# Tell versions [3.59,3.63) of GNU make to not export all variables.
489
# Tell versions [3.59,3.63) of GNU make to not export all variables.
(-)tests/H2O-CP2K/Makefile.am (-4 lines)
Lines 20-28 Link Here
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	cp $(top_srcdir)/utils/PSPfiles/HGH/$@ .
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	cp $(top_srcdir)/utils/PSPfiles/HGH/$@ .
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check: $(PPFILES) 
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check: $(PPFILES) 
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	cp -f $(top_srcdir)/tests/H2O-CP2K/input.dat .
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	cp -f $(top_srcdir)/tests/H2O-CP2K/posinp .
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	cp -f $(top_srcdir)/tests/H2O-CP2K/gaucoeff.dat .
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	cp -f $(top_srcdir)/tests/H2O-CP2K/gaubasis.dat .
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	$(run_parallel) $(top_builddir)/src/cluster > H2O-CP2K.out
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	$(run_parallel) $(top_builddir)/src/cluster > H2O-CP2K.out
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	python $(top_srcdir)/tests/fldiff.py --bigdft H2O-CP2K.out $(top_srcdir)/tests/Refs/H2O-CP2K.out.ref | tee fldiff.report
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	python $(top_srcdir)/tests/fldiff.py --bigdft H2O-CP2K.out $(top_srcdir)/tests/Refs/H2O-CP2K.out.ref | tee fldiff.report
(-)tests/H2O-CP2K/Makefile.in (-4 lines)
Lines 487-496 Link Here
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	cp $(top_srcdir)/utils/PSPfiles/HGH/$@ .
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	cp $(top_srcdir)/utils/PSPfiles/HGH/$@ .
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check: $(PPFILES) 
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check: $(PPFILES) 
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	cp -f $(top_srcdir)/tests/H2O-CP2K/input.dat .
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	cp -f $(top_srcdir)/tests/H2O-CP2K/posinp .
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	cp -f $(top_srcdir)/tests/H2O-CP2K/gaucoeff.dat .
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	cp -f $(top_srcdir)/tests/H2O-CP2K/gaubasis.dat .
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	$(run_parallel) $(top_builddir)/src/cluster > H2O-CP2K.out
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	$(run_parallel) $(top_builddir)/src/cluster > H2O-CP2K.out
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	python $(top_srcdir)/tests/fldiff.py --bigdft H2O-CP2K.out $(top_srcdir)/tests/Refs/H2O-CP2K.out.ref | tee fldiff.report
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	python $(top_srcdir)/tests/fldiff.py --bigdft H2O-CP2K.out $(top_srcdir)/tests/Refs/H2O-CP2K.out.ref | tee fldiff.report
496
# Tell versions [3.59,3.63) of GNU make to not export all variables.
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# Tell versions [3.59,3.63) of GNU make to not export all variables.
(-)tests/Li+/Makefile.am (-2 lines)
Lines 18-24 Link Here
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check: $(PPFILES) 
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check: $(PPFILES) 
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	cp -f $(top_srcdir)/tests/Li+/input.dat .
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	cp -f $(top_srcdir)/tests/Li+/posinp .
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	$(run_parallel) $(top_builddir)/src/cluster > Li+.out
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	$(run_parallel) $(top_builddir)/src/cluster > Li+.out
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	python $(top_srcdir)/tests/fldiff.py --bigdft Li+.out $(top_srcdir)/tests/Refs/Li+.out.ref | tee fldiff.report
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	python $(top_srcdir)/tests/fldiff.py --bigdft Li+.out $(top_srcdir)/tests/Refs/Li+.out.ref | tee fldiff.report
(-)tests/Li+/Makefile.in (-2 lines)
Lines 484-491 Link Here
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	cp $(top_srcdir)/utils/PSPfiles/$@ .
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	cp $(top_srcdir)/utils/PSPfiles/$@ .
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check: $(PPFILES) 
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check: $(PPFILES) 
487
	cp -f $(top_srcdir)/tests/Li+/input.dat .
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	cp -f $(top_srcdir)/tests/Li+/posinp .
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	$(run_parallel) $(top_builddir)/src/cluster > Li+.out
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	$(run_parallel) $(top_builddir)/src/cluster > Li+.out
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	python $(top_srcdir)/tests/fldiff.py --bigdft Li+.out $(top_srcdir)/tests/Refs/Li+.out.ref | tee fldiff.report
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	python $(top_srcdir)/tests/fldiff.py --bigdft Li+.out $(top_srcdir)/tests/Refs/Li+.out.ref | tee fldiff.report
491
# Tell versions [3.59,3.63) of GNU make to not export all variables.
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# Tell versions [3.59,3.63) of GNU make to not export all variables.
(-)tests/MINHOP/Makefile.am (-7 lines)
Lines 26-38 Link Here
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	cp $(top_srcdir)/utils/PSPfiles/$@ .
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	cp $(top_srcdir)/utils/PSPfiles/$@ .
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check: $(PPFILES) 
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check: $(PPFILES) 
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	cp -f $(top_srcdir)/tests/MINHOP/CPUlimit .
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	cp -f $(top_srcdir)/tests/MINHOP/earr.dat .
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	cp -f $(top_srcdir)/tests/MINHOP/input.dat .
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	cp -f $(top_srcdir)/tests/MINHOP/mdinput.dat .
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	cp -f $(top_srcdir)/tests/MINHOP/ioput .
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	cp -f $(top_srcdir)/tests/MINHOP/rand.inp .
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	cp -f $(top_srcdir)/tests/MINHOP/poscur.xyz .
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	rm -f global.mon
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	rm -f global.mon
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	$(run_parallel) $(top_builddir)/src/global > MINHOP.out
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	$(run_parallel) $(top_builddir)/src/global > MINHOP.out
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	python $(top_srcdir)/tests/fldiff.py global.mon $(top_srcdir)/tests/Refs/global.mon.ref
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	python $(top_srcdir)/tests/fldiff.py global.mon $(top_srcdir)/tests/Refs/global.mon.ref
(-)tests/MINHOP/Makefile.in (-7 lines)
Lines 493-505 Link Here
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	cp $(top_srcdir)/utils/PSPfiles/$@ .
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	cp $(top_srcdir)/utils/PSPfiles/$@ .
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check: $(PPFILES) 
495
check: $(PPFILES) 
496
	cp -f $(top_srcdir)/tests/MINHOP/CPUlimit .
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	cp -f $(top_srcdir)/tests/MINHOP/earr.dat .
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	cp -f $(top_srcdir)/tests/MINHOP/input.dat .
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	cp -f $(top_srcdir)/tests/MINHOP/mdinput.dat .
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	cp -f $(top_srcdir)/tests/MINHOP/ioput .
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	cp -f $(top_srcdir)/tests/MINHOP/rand.inp .
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	cp -f $(top_srcdir)/tests/MINHOP/poscur.xyz .
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	rm -f global.mon
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	rm -f global.mon
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	$(run_parallel) $(top_builddir)/src/global > MINHOP.out
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	$(run_parallel) $(top_builddir)/src/global > MINHOP.out
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	python $(top_srcdir)/tests/fldiff.py global.mon $(top_srcdir)/tests/Refs/global.mon.ref
498
	python $(top_srcdir)/tests/fldiff.py global.mon $(top_srcdir)/tests/Refs/global.mon.ref
(-)tests/Mn2/Makefile.am (-3 lines)
Lines 18-26 Link Here
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	cp $(top_srcdir)/utils/PSPfiles/$@ .
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	cp $(top_srcdir)/utils/PSPfiles/$@ .
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check: $(PPFILES) 
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check: $(PPFILES) 
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	cp -f $(top_srcdir)/tests/Mn2/input.dat .
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	cp -f $(top_srcdir)/tests/Mn2/posinp .
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	cp -f $(top_srcdir)/tests/Mn2/moments .
24
	$(top_builddir)/src/memguess 1 > Mn2.memguess
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	$(top_builddir)/src/memguess 1 > Mn2.memguess
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	python $(top_srcdir)/tests/fldiff.py --bigdft Mn2.memguess $(top_srcdir)/tests/Refs/Mn2.memguess.ref | cat
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	python $(top_srcdir)/tests/fldiff.py --bigdft Mn2.memguess $(top_srcdir)/tests/Refs/Mn2.memguess.ref | cat
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	$(run_parallel) $(top_builddir)/src/cluster > Mn2.out
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	$(run_parallel) $(top_builddir)/src/cluster > Mn2.out
(-)tests/Mn2/Makefile.in (-3 lines)
Lines 485-493 Link Here
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	cp $(top_srcdir)/utils/PSPfiles/$@ .
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	cp $(top_srcdir)/utils/PSPfiles/$@ .
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check: $(PPFILES) 
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check: $(PPFILES) 
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	cp -f $(top_srcdir)/tests/Mn2/input.dat .
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	cp -f $(top_srcdir)/tests/Mn2/posinp .
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	cp -f $(top_srcdir)/tests/Mn2/moments .
491
	$(top_builddir)/src/memguess 1 > Mn2.memguess
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	$(top_builddir)/src/memguess 1 > Mn2.memguess
492
	python $(top_srcdir)/tests/fldiff.py --bigdft Mn2.memguess $(top_srcdir)/tests/Refs/Mn2.memguess.ref | cat
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	python $(top_srcdir)/tests/fldiff.py --bigdft Mn2.memguess $(top_srcdir)/tests/Refs/Mn2.memguess.ref | cat
493
	$(run_parallel) $(top_builddir)/src/cluster > Mn2.out
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	$(run_parallel) $(top_builddir)/src/cluster > Mn2.out
(-)tests/NaCl/Makefile.am (-2 lines)
Lines 24-30 Link Here
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	cp $(top_srcdir)/tests/inguess.dat .
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	cp $(top_srcdir)/tests/inguess.dat .
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check: $(PPFILES) inguess.dat
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check: $(PPFILES) inguess.dat
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	cp -f $(top_srcdir)/tests/NaCl/input.dat .
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	cp -f $(top_srcdir)/tests/NaCl/posinp .
29
	$(run_parallel) $(top_builddir)/src/cluster > NaCl.out
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	$(run_parallel) $(top_builddir)/src/cluster > NaCl.out
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	python $(top_srcdir)/tests/fldiff.py --bigdft NaCl.out $(top_srcdir)/tests/Refs/NaCl.out.ref | tee fldiff.report
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	python $(top_srcdir)/tests/fldiff.py --bigdft NaCl.out $(top_srcdir)/tests/Refs/NaCl.out.ref | tee fldiff.report
(-)tests/NaCl/Makefile.in (-2 lines)
Lines 491-498 Link Here
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	cp $(top_srcdir)/tests/inguess.dat .
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	cp $(top_srcdir)/tests/inguess.dat .
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check: $(PPFILES) inguess.dat
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check: $(PPFILES) inguess.dat
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	cp -f $(top_srcdir)/tests/NaCl/input.dat .
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	cp -f $(top_srcdir)/tests/NaCl/posinp .
496
	$(run_parallel) $(top_builddir)/src/cluster > NaCl.out
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	$(run_parallel) $(top_builddir)/src/cluster > NaCl.out
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	python $(top_srcdir)/tests/fldiff.py --bigdft NaCl.out $(top_srcdir)/tests/Refs/NaCl.out.ref | tee fldiff.report
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	python $(top_srcdir)/tests/fldiff.py --bigdft NaCl.out $(top_srcdir)/tests/Refs/NaCl.out.ref | tee fldiff.report
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# Tell versions [3.59,3.63) of GNU make to not export all variables.
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# Tell versions [3.59,3.63) of GNU make to not export all variables.
(-)tests/SiBulk/Makefile.am (-2 lines)
Lines 17-23 Link Here
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	cp $(top_srcdir)/utils/PSPfiles/HGH/$@ .
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	cp $(top_srcdir)/utils/PSPfiles/HGH/$@ .
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check: $(PPFILES)
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check: $(PPFILES)
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	cp -f $(top_srcdir)/tests/SiBulk/input.dat .
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	cp -f $(top_srcdir)/tests/SiBulk/posinp .
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	$(run_parallel) $(top_builddir)/src/cluster > SiBulk.out
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	$(run_parallel) $(top_builddir)/src/cluster > SiBulk.out
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	python $(top_srcdir)/tests/fldiff.py --bigdft SiBulk.out $(top_srcdir)/tests/Refs/SiBulk.out.ref | tee fldiff.report
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	python $(top_srcdir)/tests/fldiff.py --bigdft SiBulk.out $(top_srcdir)/tests/Refs/SiBulk.out.ref | tee fldiff.report
(-)tests/SiBulk/Makefile.in (-2 lines)
Lines 484-491 Link Here
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	cp $(top_srcdir)/utils/PSPfiles/HGH/$@ .
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	cp $(top_srcdir)/utils/PSPfiles/HGH/$@ .
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check: $(PPFILES)
486
check: $(PPFILES)
487
	cp -f $(top_srcdir)/tests/SiBulk/input.dat .
488
	cp -f $(top_srcdir)/tests/SiBulk/posinp .
489
	$(run_parallel) $(top_builddir)/src/cluster > SiBulk.out
487
	$(run_parallel) $(top_builddir)/src/cluster > SiBulk.out
490
	python $(top_srcdir)/tests/fldiff.py --bigdft SiBulk.out $(top_srcdir)/tests/Refs/SiBulk.out.ref | tee fldiff.report
488
	python $(top_srcdir)/tests/fldiff.py --bigdft SiBulk.out $(top_srcdir)/tests/Refs/SiBulk.out.ref | tee fldiff.report
491
# Tell versions [3.59,3.63) of GNU make to not export all variables.
489
# Tell versions [3.59,3.63) of GNU make to not export all variables.
(-)tests/SiH4/.Makefile.am.swp (+3 lines)
Line 0 Link Here
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3
	python $(top_srcdir)/tests/fldiff.py --bigdft SiH4.out $	python $(top_srcdir)/tests/fldiff.py --bigdft SiH4.out $(top_srcdir)/tests/Refs/SiH4.out.ref | tee fldiff.report	$(run_parallel) $(top_builddir)/src/cluster > SiH4.out	cp -f $(top_srcdir)/tests/SiH4/posinp .	cp -f $(top_srcdir)/tests/SiH4/input.dat .check: $(PPFILES)	cp $(top_srcdir)/utils/PSPfiles/HGH-K/$@ .$(PPFILES):#dependencies			 fldiff.report $(EXTRA_DIST) $(PPFILES)CLEANFILES = $(PPFILES) inguess.new inguess.dat wavefunction* SiH4.out posout* *.prc\	psppar.Si	psppar.H \PPFILES = \	posinp 	input.dat \EXTRA_DIST = \SUBDIRS = ## Process this file with automake to produce Makefile.inbigdft-1.2.0.2/tests/MINHOP/Makefile.inbigdft-1.2.0.2/tests/MINHOP/Makefile.ambigdft-1.2.0.2/tests/GPU/Makefile.inbigdft-1.2.0.2/tests/GPU/Makefile.ambigdft-1.2.0.2/tests/Davidson-SiH4/Makefile.inbigdft-1.2.0.2/tests/Davidson-SiH4/Makefile.ambigdft-1.2.0.2/tests/SiBulk/Makefile.inbigdft-1.2.0.2/tests/SiBulk/Makefile.ambigdft-1.2.0.2/tests/H2O-CP2K/Makefile.inbigdft-1.2.0.2/tests/H2O-CP2K/Makefile.ambigdft-1.2.0.2/tests/Mn2/Makefile.inbigdft-1.2.0.2/tests/Mn2/Makefile.ambigdft-1.2.0.2/tests/Ca2/Makefile.inbigdft-1.2.0.2/tests/Ca2/Makefile.ambigdft-1.2.0.2/tests/C/Makefile.inbigdft-1.2.0.2/tests/C/Makefile.ambigdft-1.2.0.2/tests/NaCl/Makefile.inbigdft-1.2.0.2/tests/NaCl/Makefile.amgdft-1.2.0.2/tests/SiH4/Makefile.in
(-)tests/SiH4/Makefile.am (-2 lines)
Lines 18-24 Link Here
18
	cp $(top_srcdir)/utils/PSPfiles/HGH-K/$@ .
18
	cp $(top_srcdir)/utils/PSPfiles/HGH-K/$@ .
19
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check: $(PPFILES)
20
check: $(PPFILES)
21
	cp -f $(top_srcdir)/tests/SiH4/input.dat .
22
	cp -f $(top_srcdir)/tests/SiH4/posinp .
23
	$(run_parallel) $(top_builddir)/src/cluster > SiH4.out
21
	$(run_parallel) $(top_builddir)/src/cluster > SiH4.out
24
	python $(top_srcdir)/tests/fldiff.py --bigdft SiH4.out $(top_srcdir)/tests/Refs/SiH4.out.ref | tee fldiff.report
22
	python $(top_srcdir)/tests/fldiff.py --bigdft SiH4.out $(top_srcdir)/tests/Refs/SiH4.out.ref | tee fldiff.report
(-)tests/SiH4/Makefile.in (-2 lines)
Lines 485-492 Link Here
485
	cp $(top_srcdir)/utils/PSPfiles/HGH-K/$@ .
485
	cp $(top_srcdir)/utils/PSPfiles/HGH-K/$@ .
486
486
487
check: $(PPFILES)
487
check: $(PPFILES)
488
	cp -f $(top_srcdir)/tests/SiH4/input.dat .
489
	cp -f $(top_srcdir)/tests/SiH4/posinp .
490
	$(run_parallel) $(top_builddir)/src/cluster > SiH4.out
488
	$(run_parallel) $(top_builddir)/src/cluster > SiH4.out
491
	python $(top_srcdir)/tests/fldiff.py --bigdft SiH4.out $(top_srcdir)/tests/Refs/SiH4.out.ref | tee fldiff.report
489
	python $(top_srcdir)/tests/fldiff.py --bigdft SiH4.out $(top_srcdir)/tests/Refs/SiH4.out.ref | tee fldiff.report
492
# Tell versions [3.59,3.63) of GNU make to not export all variables.
490
# Tell versions [3.59,3.63) of GNU make to not export all variables.

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