Re: [gmx-users] How can Build gromacs using MSVC on Win64 with AVX2?
>Those are kernels for legacy code that never use such simd anywhere Doy you mean that gmxSimdFlags.cmake is not used for simd detection ? Tatsuro - Original Message - >From: Mark Abraham >To: Discussion list for GROMACS users ; Tatsuro >MATSUOKA >Date: 2019/9/12, Thu 14:39 >Subject: Re: [gmx-users] How can Build gromacs using MSVC on Win64 with AVX2? > > >Hi, > > >Those are kernels for legacy code that never use such simd anywhere > > >Mark > >On Thu., 12 Sep. 2019, 07:16 Tatsuro MATSUOKA, wrote: > >On GROMACS 2019.3, GROMACS cannot be built with AVX2. >> >>In gmxSimdFlags.cmake >> >> SIMD_AVX2_C_FLAGS SIMD_AVX2_CXX_FLAGS >> "${TOOLCHAIN_FLAG_FOR_AVX2}" "-mavx2" "/arch:AVX" "-hgnu") # no >>AVX2-specific flag for MSVC yet >> >>If I modify the above, "/arch:AVX" => "/arch:AVX" , >> >>-- Performing Test C_mavx2_mfma_FLAG_ACCEPTED >>-- Performing Test C_mavx2_mfma_FLAG_ACCEPTED - Failed >>-- Performing Test C_mavx2_FLAG_ACCEPTED >>-- Performing Test C_mavx2_FLAG_ACCEPTED - Failed >>-- Performing Test C_arch_AVX2_FLAG_ACCEPTED >>-- Performing Test C_arch_AVX2_FLAG_ACCEPTED - Success >>-- Performing Test C_arch_AVX2_COMPILE_WORKS >>-- Performing Test C_arch_AVX2_COMPILE_WORKS - Success >>-- Performing Test CXX_mavx2_mfma_FLAG_ACCEPTED >>-- Performing Test CXX_mavx2_mfma_FLAG_ACCEPTED - Failed >>-- Performing Test CXX_mavx2_FLAG_ACCEPTED >>-- Performing Test CXX_mavx2_FLAG_ACCEPTED - Failed >>-- Performing Test CXX_arch_AVX2_FLAG_ACCEPTED >>-- Performing Test CXX_arch_AVX2_FLAG_ACCEPTED - Success >>-- Performing Test CXX_arch_AVX2_COMPILE_WORKS >>-- Performing Test CXX_arch_AVX2_COMPILE_WORKS - Success >>-- Enabling 256-bit AVX2 SIMD instructions using CXX flags: /arch:AVX2 >> >> >>But avx components >> >> nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_avx_256_single.cpp >> nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_avx_256_single.cpp >> nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_avx_256_single.cpp >> nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_avx_256_single.cpp >> nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_avx_256_single.cpp >> nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_avx_256_single.cpp >> nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_avx_256_single.cpp >>are complied. >> >>How can I compile "avx2_256" files? >> >>Tatsuro >> >>-- >>Gromacs Users mailing list >> >>* Please search the archive at >>http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! >> >>* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> >>* For (un)subscribe requests visit >>https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a >>mail to gmx-users-requ...@gromacs.org. > > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
[gmx-users] How can Build gromacs using MSVC on Win64 with AVX2?
On GROMACS 2019.3, GROMACS cannot be built with AVX2. In gmxSimdFlags.cmake SIMD_AVX2_C_FLAGS SIMD_AVX2_CXX_FLAGS "${TOOLCHAIN_FLAG_FOR_AVX2}" "-mavx2" "/arch:AVX" "-hgnu") # no AVX2-specific flag for MSVC yet If I modify the above, "/arch:AVX" => "/arch:AVX" , -- Performing Test C_mavx2_mfma_FLAG_ACCEPTED -- Performing Test C_mavx2_mfma_FLAG_ACCEPTED - Failed -- Performing Test C_mavx2_FLAG_ACCEPTED -- Performing Test C_mavx2_FLAG_ACCEPTED - Failed -- Performing Test C_arch_AVX2_FLAG_ACCEPTED -- Performing Test C_arch_AVX2_FLAG_ACCEPTED - Success -- Performing Test C_arch_AVX2_COMPILE_WORKS -- Performing Test C_arch_AVX2_COMPILE_WORKS - Success -- Performing Test CXX_mavx2_mfma_FLAG_ACCEPTED -- Performing Test CXX_mavx2_mfma_FLAG_ACCEPTED - Failed -- Performing Test CXX_mavx2_FLAG_ACCEPTED -- Performing Test CXX_mavx2_FLAG_ACCEPTED - Failed -- Performing Test CXX_arch_AVX2_FLAG_ACCEPTED -- Performing Test CXX_arch_AVX2_FLAG_ACCEPTED - Success -- Performing Test CXX_arch_AVX2_COMPILE_WORKS -- Performing Test CXX_arch_AVX2_COMPILE_WORKS - Success -- Enabling 256-bit AVX2 SIMD instructions using CXX flags: /arch:AVX2 But avx components nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_avx_256_single.cpp nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_avx_256_single.cpp nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_avx_256_single.cpp nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_avx_256_single.cpp nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_avx_256_single.cpp nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_avx_256_single.cpp nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_avx_256_single.cpp are complied. How can I compile "avx2_256" files? Tatsuro -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
Re: [gmx-users] gromacs binaries for windows (Cygwin 64)
>> As in message in the cmake configure process, gcc on 64 bit windows is > buggy >> for AVX simd instruction. > > Correct. But that is a GCC bug > (https://gcc.gnu.org/bugzilla/show_bug.cgi?id=54412 ) > With ICC, MSVC, and Clang the problem doesn't exist. I also noticed that. I tried build using Clang on Cygwin. Build itself was passed but executable crashed. But that was the first time to use Clang and something might wrong for my setting. >> 2. With AVX I could Gromacs 2018 or later but binary are broken. >> With SSE simd instruction, Gromacs works all versions Usable binary with > AVX >> can be build on Gromacs 2016 or before. > Are you referring to AVX with GCC on Win64? Or do you have issues with AVX > with > any other compiler or OS? Yes. AVX with GCC with Win64 (Cygwin 64). With 32 bit GCC on Cygwin with AVX, build and execute does not have problem. As you said, with MSVC, Gromacs with AVX on Win64 works. BTW, at least VC 2017, MSVC supports AVX2 later, bur Gromacs 2019.3 does not support AVX2 or later. I tried to attach the below --- a/cmake/gmxSimdFlags.cmake 2019-05-29 16:16:15.0 +0900 +++ b/cmake/gmxSimdFlags.cmake 2019-09-10 15:18:47.782352000 +0900 @@ -245,7 +245,7 @@ int main(){__m256i x=_mm256_set1_epi32(5);x=_mm256_add_epi32(x,x);return _mm256_movemask_epi8(x);}" TOOLCHAIN_C_FLAGS TOOLCHAIN_CXX_FLAGS SIMD_AVX2_C_FLAGS SIMD_AVX2_CXX_FLAGS - "-march=core-avx2" "-mavx2" "/arch:AVX" "-hgnu") # no AVX2-specific flag for MSVC yet + "-march=core-avx2" "-mavx2" "/arch:AVX2" "-hgnu") # no AVX2-specific flag for MSVC yet if(${SIMD_AVX2_C_FLAGS_RESULT}) set(${C_FLAGS_VARIABLE} "${TOOLCHAIN_C_FLAGS} ${SIMD_AVX2_C_FLAGS}" CACHE INTERNAL "C flags required for AVX2 instructions") The patch enables AVX2 detection, but built systyem compiles AVX 256 sources but not AVX2 256. Further modification should be required. Tatsuro - Original Message - > From: "Schulz, Roland" > To: "gmx-us...@gromacs.org" ; Tatsuro MATSUOKA > ; Szilárd Páll > Cc: "gromacs.org_gmx-users@maillist.sys.kth.se" > > Date: 2019/9/12, Thu 04:08 > Subject: RE: [gmx-users] gromacs binaries for windows (Cygwin 64) > > > >> -Original Message- >> From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se >> [mailto:gromacs.org_gmx-users-boun...@maillist.sys.kth.se] On Behalf Of >> Tatsuro MATSUOKA >> Sent: Tuesday, September 10, 2019 8:26 PM >> To: gmx-us...@gromacs.org; Szilárd Páll ; >> tmaccha...@yahoo.co.jp >> Cc: gromacs.org_gmx-users@maillist.sys.kth.se >> Subject: Re: [gmx-users] gromacs binaries for windows (Cygwin 64) >> >> Sorry I wrote the previous mail without revise. >> >> >> Thank you for your comments. >> As in message in the cmake configure process, gcc on 64 bit windows is > buggy >> for AVX simd instruction. > > Correct. But that is a GCC bug > (https://gcc.gnu.org/bugzilla/show_bug.cgi?id=54412 ) > With ICC, MSVC, and Clang the problem doesn't exist. > >> 1. I cannot use -DGMX_BUILD_OWN_FFTW=ON. I used FFTW on Cygwin >> repo. > Correct. This option isn't intended for anything other than Linux. > >> 2. With AVX I could Gromacs 2018 or later but binary are broken. >> With SSE simd instruction, Gromacs works all versions Usable binary with > AVX >> can be build on Gromacs 2016 or before. > Are you referring to AVX with GCC on Win64? Or do you have issues with AVX > with > any other compiler or OS? > >> Please also see Notes for Cygwin build >> (http://tmacchant3.starfree.jp/gromacs/win/notes_cygwin.html ) on my > > Roland > >> web site. >> >> Now I added MSVC binary (http://tmacchant3.starfree.jp/gromacs/win ) and >> Notes for MSVC build >> (http://tmacchant3.starfree.jp/gromacs/win/notes_MSVC.html ). >> >> Tatsuro >> >> >> >> - Original Message - >> > From: Tatsuro MATSUOKA >> > To: Szilárd Páll ; Discussion list for > GROMACS >> > users >> > Cc: "gromacs.org_gmx-users@maillist.sys.kth.se" >> > >> > Date: 2019/9/11, Wed 11:54 >> > Subject: Re: [gmx-users] gromacs binaries for windows (Cygwin 64) >> > >> >T hank you for your comments. >> > As in cmake configure process, gcc on 64 bit windows is buggy for AVX >> >simd instruction. >> > >> > >> > 1. I cannot use -DGMX_BUILD_OWN_FFTW=ON. I used FFT
Re: [gmx-users] gromacs binaries for windows (Cygwin 64)
Sorry I wrote the previous mail without revise. Thank you for your comments. As in message in the cmake configure process, gcc on 64 bit windows is buggy for AVX simd instruction. 1. I cannot use -DGMX_BUILD_OWN_FFTW=ON. I used FFTW on Cygwin repo. 2. With AVX I could Gromacs 2018 or later but binary are broken. With SSE simd instruction, Gromacs works all versions Usable binary with AVX can be build on Gromacs 2016 or before. Please also see Notes for Cygwin build (http://tmacchant3.starfree.jp/gromacs/win/notes_cygwin.html) on my web site. Now I added MSVC binary (http://tmacchant3.starfree.jp/gromacs/win) and Notes for MSVC build (http://tmacchant3.starfree.jp/gromacs/win/notes_MSVC.html). Tatsuro - Original Message - > From: Tatsuro MATSUOKA > To: Szilárd Páll ; Discussion list for GROMACS users > > Cc: "gromacs.org_gmx-users@maillist.sys.kth.se" > > Date: 2019/9/11, Wed 11:54 > Subject: Re: [gmx-users] gromacs binaries for windows (Cygwin 64) > >T hank you for your comments. > As in cmake configure process, gcc on 64 bit windows is buggy for AVX simd > instruction. > > > 1. I cannot use -DGMX_BUILD_OWN_FFTW=ON. I used FFTW on Cygwin repo. > 2. With AVX I could Gromacs 2018 or later but binary are broken before. > Usable binary can be Gromacs 2016 or before. > > Please also SEE Notes on my web site. > > Now I adde MSVC binary. > > > Tatsuro > > > > > - Original Message - >> From: Szilárd Páll >> To: Discussion list for GROMACS users ; > Tatsuro MATSUOKA >> Cc: "gromacs.org_gmx-users@maillist.sys.kth.se" > >> Date: 2019/9/10, Tue 18:21 >> Subject: Re: [gmx-users] gromacs binaries for windows (Cygwin 64) >> >> Dear Tatsuro, >> >> Thanks for the contributions! >> >> Do the builds work out cleanly on cygwin? Are there any additional >> instructions we should consider including in our installation guide? >> >> Cheers, >> -- >> Szilárd >> >> On Fri, Sep 6, 2019 at 5:46 AM Tatsuro MATSUOKA > >> wrote: >>> >>> I have prepared gromacs binaries for windows (Cygwin 64) on my own web > >> site. >>> (For testing purpose.) >>> >>> http://tmacchant3.starfree.jp/gromacs/win/ >>> >>> Tatsuro >>> >>> -- >>> Gromacs Users mailing list >>> >>> * Please search the archive at >> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! >>> >>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >>> >>> * For (un)subscribe requests visit >>> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send >> a mail to gmx-users-requ...@gromacs.org. >> > > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a > mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
Re: [gmx-users] gromacs binaries for windows (Cygwin 64)
Thank you for your comments. As in cmake configure process, gcc on 64 bit windows is buggy for AVX simd instruction. 1. I cannot use -DGMX_BUILD_OWN_FFTW=ON. I used FFTW on Cygwin repo. 2. With AVX I could Gromacs 2018 or later but binary are broken before. Usable binary can be Gromacs 2016 or before. Please also SEE Notes on my web site. Now I adde MSVC binary. Tatsuro - Original Message - > From: Szilárd Páll > To: Discussion list for GROMACS users ; Tatsuro > MATSUOKA > Cc: "gromacs.org_gmx-users@maillist.sys.kth.se" > > Date: 2019/9/10, Tue 18:21 > Subject: Re: [gmx-users] gromacs binaries for windows (Cygwin 64) > > Dear Tatsuro, > > Thanks for the contributions! > > Do the builds work out cleanly on cygwin? Are there any additional > instructions we should consider including in our installation guide? > > Cheers, > -- > Szilárd > > On Fri, Sep 6, 2019 at 5:46 AM Tatsuro MATSUOKA > wrote: >> >> I have prepared gromacs binaries for windows (Cygwin 64) on my own web > site. >> (For testing purpose.) >> >> http://tmacchant3.starfree.jp/gromacs/win/ >> >> Tatsuro >> >> -- >> Gromacs Users mailing list >> >> * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! >> >> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> >> * For (un)subscribe requests visit >> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send > a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
Re: [gmx-users] gromacs binaries for windows (Cygwin 64)
Thanks for comments. > I'm curious: is there any advantage of using Cygwin over using WSL > (https://docs.microsoft.com/en-us/windows/wsl/install-win10 ) for using > GROMACS? > If you use WSL than installing GROMACS on Windows is trivial. First "Notes for Cygwin build" I mentioned WSL build as : On Windows 10 64bit, one of the efficient method to build GROMACS is to use the WSL (Windows Subsystem for Linux). Information of setting up the WSL and building steps of GROMACS on the WSL can be found by search engines (e. g. Google). Building GROMACS on Cygwin is sometimes useful because binaries can be portable. I now added MSVC compiled binaries not using icc. At this moment I can only use AVX but not AVX2, AVX512. Tatsuro - Original Message - > From: "Schulz, Roland" > To: "gmx-us...@gromacs.org" ; Tatsuro MATSUOKA > > Cc: "gromacs.org_gmx-users@maillist.sys.kth.se" > > Date: 2019/9/11, Wed 02:49 > Subject: RE: [gmx-users] gromacs binaries for windows (Cygwin 64) > > I'm curious: is there any advantage of using Cygwin over using WSL > (https://docs.microsoft.com/en-us/windows/wsl/install-win10 ) for using > GROMACS? > If you use WSL than installing GROMACS on Windows is trivial. > > MSVC has also AVX512 support: > https://devblogs.microsoft.com/cppblog/microsoft-visual-studio-2017-supports-intel-avx-512/ > > > https://github.com/MicrosoftDocs/cpp-docs/issues/1078 > > I haven't tested whether AVX2 or AVX512 works correctly with MSVC. > > Also note that it's possible to produce native Windows binaries (without a > dependency on Cygwin/Mingw/WSL) compiled for AVX2 and AVX512 with LLVM and > ICC: > https://github.com/boostorg/hana/wiki/Setting-up-Clang-on-Windows#visual-studio-2015-with-clangllvm-clang-cl > > > https://software.intel.com/en-us/system-studio/choose-download > > Roland > >> -Original Message- >> From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se >> [mailto:gromacs.org_gmx-users-boun...@maillist.sys.kth.se] On Behalf Of >> Szilárd Páll >> Sent: Tuesday, September 10, 2019 2:21 AM >> To: Discussion list for GROMACS users ; > Tatsuro >> MATSUOKA >> Cc: gromacs.org_gmx-users@maillist.sys.kth.se >> Subject: Re: [gmx-users] gromacs binaries for windows (Cygwin 64) >> >> Dear Tatsuro, >> >> Thanks for the contributions! >> >> Do the builds work out cleanly on cygwin? Are there any additional >> instructions we should consider including in our installation guide? >> >> Cheers, >> -- >> Szilárd >> >> On Fri, Sep 6, 2019 at 5:46 AM Tatsuro MATSUOKA >> wrote: >> > >> > I have prepared gromacs binaries for windows (Cygwin 64) on my own web >> site. >> > (For testing purpose.) >> > >> > http://tmacchant3.starfree.jp/gromacs/win/ >> > >> > Tatsuro >> > >> > -- >> > Gromacs Users mailing list >> > >> > * Please search the archive at >> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before >> posting! >> > >> > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> > >> > * For (un)subscribe requests visit >> > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or >> send a mail to gmx-users-requ...@gromacs.org. >> -- >> Gromacs Users mailing list >> >> * Please search the archive at >> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before >> posting! >> >> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> >> * For (un)subscribe requests visit >> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send >> a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
Re: [gmx-users] MSVC or later now supports AVX2 and AVX_512
Sorry I have make mistake. Check for AVX2 was passed by modification. * In CmakeCache.txt C_arch_AVX2_COMPILE_WORKS:INTERNAL=1 //Test C_arch_AVX2_FLAG_ACCEPTED * But actually simd/impl_x86_avx_256 codes were built but not simd/impl_x86_avx2_256. Tatsuro - Original Message - >From: Mark Abraham >To: Discussion list for GROMACS users ; Tatsuro >MATSUOKA >Cc: "gromacs.org_gmx-users@maillist.sys.kth.se" > >Date: 2019/9/10, Tue 18:17 >Subject: Re: [gmx-users] MSVC or later now supports AVX2 and AVX_512 > > >Hi, > > >Thanks for the report. Do the tests pass? Particularly the simd-test binary. > > >Mark > >On Tue, 10 Sep 2019 at 09:36, Tatsuro MATSUOKA wrote: > >In gmxSimdFlags.cmake, it is described : >># no AVX2-specific flag for MSVC yet >> >>However, at least MSVC 2017 and 2019, /arch:AVX2 is added. >>If I modify /arch:AVX to /arch:AVX2, gromacs can be complied with avx 256. >> >>Tatsuro >> >>-- >>Gromacs Users mailing list >> >>* Please search the archive at >>http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! >> >>* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> >>* For (un)subscribe requests visit >>https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a >>mail to gmx-users-requ...@gromacs.org. >> > > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
[gmx-users] MSVC or later now supports AVX2 and AVX_512
In gmxSimdFlags.cmake, it is described : # no AVX2-specific flag for MSVC yet However, at least MSVC 2017 and 2019, /arch:AVX2 is added. If I modify /arch:AVX to /arch:AVX2, gromacs can be complied with avx 256. Tatsuro -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
[gmx-users] Add MSVC binary and build method on MSVC Re: gromacs binaries for windows (Cygwin 64)
- Original Message - > From: Tatsuro MATSUOKA > To: "gromacs.org_gmx-users@maillist.sys.kth.se" > > Cc: > Date: 2019/9/6, Fri 12:33 > Subject: [gmx-users] gromacs binaries for windows (Cygwin 64) > > I have prepared gromacs binaries for windows (Cygwin 64) on my own web site. > (For testing purpose.) > > http://tmacchant3.starfree.jp/gromacs/win/ > > Tatsuro > I have upload Gromacs 2018.7 on Windows build VC++ 2019. I also described my method to build Gromacs using VC++ 2019. http://tmacchant3.starfree.jp/gromacs/win/ I think that VC+ build is not longer difficult and more effective than build on WSL. Tatsuro -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
[gmx-users] gromacs binaries for windows (Cygwin 64)
I have prepared gromacs binaries for windows (Cygwin 64) on my own web site. (For testing purpose.) http://tmacchant3.starfree.jp/gromacs/win/ Tatsuro -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.