From f0cb3c98a1875546fa79e95da5f1471059e6dea6 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Luk=C3=A1=C5=A1=20Krup=C4=8D=C3=ADk?= Date: Tue, 20 Feb 2018 15:46:03 +0100 Subject: [PATCH] modified: g/GROMACS/GROMACS-2016.5-intel-2017b-serial.eb modified: g/GROMACS/GROMACS-2018-intel-2017b-serial.eb --- g/GROMACS/GROMACS-2016.5-intel-2017b-serial.eb | 4 +++- g/GROMACS/GROMACS-2018-intel-2017b-serial.eb | 3 ++- 2 files changed, 5 insertions(+), 2 deletions(-) diff --git a/g/GROMACS/GROMACS-2016.5-intel-2017b-serial.eb b/g/GROMACS/GROMACS-2016.5-intel-2017b-serial.eb index 368d98b7..5b7e47d2 100644 --- a/g/GROMACS/GROMACS-2016.5-intel-2017b-serial.eb +++ b/g/GROMACS/GROMACS-2016.5-intel-2017b-serial.eb @@ -13,7 +13,9 @@ sources = [SOURCELOWER_TAR_GZ] checksums = ['f41807e5b2911ccb547a3fd11f105d47'] -configopts = ' -DGMX_GPU=OFF -DBUILD_SHARED_LIBS=OFF -DGMX_PREFER_STATIC_LIBS=ON -DGMX_DOUBLE=OFF -DGMX_SIMD=AVX2_256 -DGMX_BUILD_OWN_FFTW=ON -DGMX_MPI=ON' +#configopts = ' -DGMX_GPU=OFF -DBUILD_SHARED_LIBS=OFF -DGMX_PREFER_STATIC_LIBS=ON -DGMX_DOUBLE=OFF -DGMX_SIMD=AVX2_256 -DGMX_BUILD_OWN_FFTW=ON -DGMX_MPI=ON' +# anselm +configopts = ' -DGMX_GPU=OFF -DBUILD_SHARED_LIBS=OFF -DGMX_PREFER_STATIC_LIBS=ON -DGMX_DOUBLE=OFF -DGMX_SIMD=SSE4.1 -DGMX_BUILD_OWN_FFTW=ON -DGMX_MPI=ON' builddependencies = [ ('CMake', '3.9.1', '', True), diff --git a/g/GROMACS/GROMACS-2018-intel-2017b-serial.eb b/g/GROMACS/GROMACS-2018-intel-2017b-serial.eb index 8b70267b..4ef68757 100644 --- a/g/GROMACS/GROMACS-2018-intel-2017b-serial.eb +++ b/g/GROMACS/GROMACS-2018-intel-2017b-serial.eb @@ -13,7 +13,8 @@ sources = [SOURCELOWER_TAR_GZ] checksums = ['6467ffb1575b8271548a13abfba6374c'] -configopts = ' -DGMX_GPU=OFF -DBUILD_SHARED_LIBS=OFF -DGMX_PREFER_STATIC_LIBS=ON -DGMX_DOUBLE=OFF -DGMX_SIMD=AVX2_256 -DGMX_BUILD_OWN_FFTW=ON -DGMX_MPI=ON' +#configopts = ' -DGMX_GPU=OFF -DBUILD_SHARED_LIBS=OFF -DGMX_PREFER_STATIC_LIBS=ON -DGMX_DOUBLE=OFF -DGMX_SIMD=AVX2_256 -DGMX_BUILD_OWN_FFTW=ON -DGMX_MPI=ON' +configopts = ' -DGMX_GPU=OFF -DBUILD_SHARED_LIBS=OFF -DGMX_PREFER_STATIC_LIBS=ON -DGMX_DOUBLE=OFF -DGMX_SIMD=AUTO -DGMX_BUILD_OWN_FFTW=ON -DGMX_MPI=ON' builddependencies = [ ('CMake', '3.9.1', '', True),