New CPU detection & AVX/SSE code, removed raw assembly files.
authorErik Lindahl <erik@kth.se>
Mon, 28 May 2012 18:54:17 +0000 (20:54 +0200)
committerErik Lindahl <erik@kth.se>
Sat, 16 Jun 2012 20:02:01 +0000 (22:02 +0200)
commit5ba7125c5972f2aafde2310eaa4a345cbac55da5
tree8c751eca3fcdeb25382bbfdd7c7aadfc5b39e5a1
parentc7a82654f2eb8992067079c3196f59d69e3f95f6
New CPU detection & AVX/SSE code, removed raw assembly files.

Removed all raw assembly files and deprecated altivec support.
Removed support for NASM and other assemblers, and replaced
previous SSE detection code with a new module using CPUID instead.
Added detection for SSE2, SSE4.1, AVX 128-bit with FMA, and AVX 256-bit.
Added Cmake detection of build platform based on CPUID, and output this
to the log file. The executables now compare the compile-time platform
and selected acceleration with the run-time platform and most suitable
acceleration and warns the user if they do not match. The compiler
detection code has also been reordered slightly to produce more readable
warnings when OpenMP is not available, and correctly disable pragma
warnings.

Added intrinsics code and math functions for SSE2, SSE4.1, AVX128/256
both in single and double precision. All math functions and permutation
code have been tested & verified. Single precision math functions are
correct apart from the least significant bit, and double precision has
roughly twice the accuracy.

This has forced me to temporarily disable the SSE & Fortran acceleration.
SSE will be added back soon based on new intrinsics-only kernels currently
in testing, and we will test if Fortran still makes sense then.

Finally, the patch includes a modification to gmx_rmsdist where
a regression issue was introduced recently by using sqrtf() for
the norm function. This caused the intel compiler to produce slightly
different results at high optimization leves, which got evident here.

Closes #926 - Raw assembly code has been removed.
Refs #923 - Old kernels removed, new will be added shortly.
Fixes #914 - Cmake now does architecture-speficic optimization.
Fixes #912, #913
Fixes #857 - We detect rdtscp support with CPUID and use it if possible.
Fixes #750
Closes #537, #574 - Altivec is now deprecated.

Change-Id: Icfca5a940762f8d82ae67b59c65b2d2ac683256d
914 files changed:
CMakeLists.txt
cmake/CMakeASM_NASMInformation.cmake [deleted file]
cmake/CMakeDetermineASM_NASMCompiler.cmake [deleted file]
cmake/CMakeTestASM_NASMCompiler.cmake [deleted file]
cmake/TestInlineASM_msvc_x86.c [deleted file]
cmake/gmxCheckBuildUserTime.cmake [deleted file]
cmake/gmxDetectAcceleration.cmake [new file with mode: 0644]
cmake/gmxSetBuildInformation.cmake [new file with mode: 0644]
cmake/gmxTestInlineASM.cmake
include/gmx_cyclecounter.h
include/gmx_detectcpu.h [new file with mode: 0644]
include/gmx_math_x86_avx_128_fma_double.h [new file with mode: 0644]
include/gmx_math_x86_avx_128_fma_single.h [new file with mode: 0644]
include/gmx_math_x86_avx_256_double.h [new file with mode: 0644]
include/gmx_math_x86_avx_256_single.h [new file with mode: 0644]
include/gmx_math_x86_sse2_double.h [new file with mode: 0644]
include/gmx_math_x86_sse2_single.h [new file with mode: 0644]
include/gmx_math_x86_sse4_1_double.h [new file with mode: 0644]
include/gmx_math_x86_sse4_1_single.h [new file with mode: 0644]
include/gmx_sse2_double.h [deleted file]
include/gmx_sse2_single.h [deleted file]
include/gmx_x86_avx_128_fma.h [new file with mode: 0644]
include/gmx_x86_avx_256.h [new file with mode: 0644]
include/gmx_x86_sse2.h [new file with mode: 0644]
include/gmx_x86_sse4_1.h [new file with mode: 0644]
include/nonbonded.h
include/thread_mpi/atomic/cycles.h
include/types/forcerec.h
src/config.h.cmakein
src/gmxlib/CMakeLists.txt
src/gmxlib/checkpoint.c
src/gmxlib/gmx_detectcpu.c [new file with mode: 0644]
src/gmxlib/main.c
src/gmxlib/nonbonded/CMakeLists.txt [new file with mode: 0644]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/README [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel010_ia32_sse.h [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel010_ia32_sse.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel010_ia32_sse_intel_syntax.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel030_ia32_sse.h [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel030_ia32_sse.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel030_ia32_sse_intel_syntax.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel100_ia32_sse.h [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel100_ia32_sse.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel100_ia32_sse_intel_syntax.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel101_ia32_sse.h [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel101_ia32_sse.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel101_ia32_sse_intel_syntax.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel102_ia32_sse.h [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel102_ia32_sse.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel102_ia32_sse_intel_syntax.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel103_ia32_sse.h [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel103_ia32_sse.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel103_ia32_sse_intel_syntax.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel104_ia32_sse.h [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel104_ia32_sse.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel104_ia32_sse_intel_syntax.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel110_ia32_sse.h [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel110_ia32_sse.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel110_ia32_sse_intel_syntax.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel111_ia32_sse.h [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel111_ia32_sse.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel111_ia32_sse_intel_syntax.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel112_ia32_sse.h [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel112_ia32_sse.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel112_ia32_sse_intel_syntax.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel113_ia32_sse.h [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel113_ia32_sse.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel113_ia32_sse_intel_syntax.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel114_ia32_sse.h [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel114_ia32_sse.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel114_ia32_sse_intel_syntax.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel130_ia32_sse.h [deleted file]
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src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel132_ia32_sse_intel_syntax.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel133_ia32_sse.h [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel133_ia32_sse.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel133_ia32_sse_intel_syntax.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel134_ia32_sse.h [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel134_ia32_sse.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel134_ia32_sse_intel_syntax.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel200_ia32_sse.h [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel200_ia32_sse.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel200_ia32_sse_intel_syntax.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel201_ia32_sse.h [deleted file]
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src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel201_ia32_sse_intel_syntax.s [deleted file]
src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel202_ia32_sse.h [deleted file]
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src/gmxlib/nonbonded/nb_kernel_ia32_sse/nb_kernel202_ia32_sse_intel_syntax.s [deleted file]
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