BioD PNPI Git Repos - alexxy/gromacs.git/commit

biod.pnpi.spb.ru / alexxy / gromacs.git / commit

author	Erik Lindahl <erik@kth.se>
	Thu, 22 Nov 2012 20:24:06 +0000 (21:24 +0100)
committer	Erik Lindahl <erik@kth.se>
	Thu, 22 Nov 2012 23:23:07 +0000 (00:23 +0100)
commit	f5b0d22554d401917f9305e436baaab3c850766e
tree	2b530e15287f044f21b3cc03390058f2cca55751	tree \| snapshot
parent	51051bed855f68b7212890f8aea48631fbce6edc	commit \| diff

Fix for icc 13 optimization-related issue and TIP4P kernel update.

Worked around icc enthusiastic memory optimization in SSE4.1 kernels,
and corrected TIP4P-TIP4P RFCut kernels to also cut user-table interactions
in order to make them produce identical results to the generic
kernels.

Change-Id: I88f0dcefe5fee0e184e276c7498c50b84cb0bffa

220 files changed:

src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_c.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_c/nb_kernel_template_c.pre		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/kernelutil_x86_sse2_single.h		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwNone_GeomP1P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwNone_GeomW3P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwNone_GeomW3W3_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwNone_GeomW4P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecCoul_VdwNone_GeomW4W4_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_sse2_single.c		diff \| blob \| history
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src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwLJ_GeomP1P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwLJ_GeomW3P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwLJ_GeomW3W3_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwLJ_GeomW4P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwLJ_GeomW4W4_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwNone_GeomP1P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwNone_GeomW3P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwNone_GeomW3W3_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwNone_GeomW4P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecEw_VdwNone_GeomW4W4_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecGB_VdwLJ_GeomP1P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecGB_VdwNone_GeomP1P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecNone_VdwLJ_GeomP1P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_sse2_single.c		diff \| blob \| history
src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_sse2_single.c		diff \| blob \| history
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src/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_sse2_single.c		diff \| blob \| history
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src/gmxlib/nonbonded/nb_kernel_sse4_1_single/kernelutil_x86_sse4_1_single.h		diff \| blob \| history
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