From 2cf535869370291f705ddaae0e88684639733b44 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Luk=C3=A1=C5=A1=20Krup=C4=8D=C3=ADk?= Date: Mon, 1 Jun 2020 14:14:46 +0200 Subject: [PATCH] modified: o/OpenMPI/OpenMPI-3.1.4-GCC-8.3.0-2.32.eb modified: v/VASP/VASP-5.4.4-intel-2020a-mkl=sequential.eb --- o/OpenMPI/OpenMPI-3.1.4-GCC-8.3.0-2.32.eb | 36 ++++++------------- .../VASP-5.4.4-intel-2020a-mkl=sequential.eb | 3 +- 2 files changed, 12 insertions(+), 27 deletions(-) diff --git a/o/OpenMPI/OpenMPI-3.1.4-GCC-8.3.0-2.32.eb b/o/OpenMPI/OpenMPI-3.1.4-GCC-8.3.0-2.32.eb index 97c197ac..ee335598 100644 --- a/o/OpenMPI/OpenMPI-3.1.4-GCC-8.3.0-2.32.eb +++ b/o/OpenMPI/OpenMPI-3.1.4-GCC-8.3.0-2.32.eb @@ -1,4 +1,5 @@ -# IT4Innovations 2019 +# IT4Innovations 2020 +# LK easyblock = 'ConfigureMake' @@ -18,25 +19,16 @@ dependencies = [ ('hwloc', '1.11.7'), ('zlib', '1.2.11', '', True), ('libxml2', '2.9.4', '', True), + ('UCX', '1.6.1'), ] -#configopts = '--enable-shared --enable-mpi-thread-multiple --with-verbs ' -# suppress failure modes in relation to mpirun path -#configopts += '--enable-mpirun-prefix-by-default ' -#configopts += '--with-hwloc=$EBROOTHWLOC ' # hwloc support -# configopts += '--disable-dlopen ' # dont disable dlopen! -# https://github.com/open-mpi/ompi/issues/3630 -configopts = '--with-tm=/opt/pbs ' # Enable PBS -#configopts += '--enable-mpi-java ' # Java support RT#4090 -#configopts += '--enable-mpi-cxx ' # Enable building the C++ MPI bindings +configopts = '--enable-shared --enable-mpi-thread-multiple --with-verbs ' +configopts += '--enable-mpirun-prefix-by-default ' +configopts += '--with-hwloc=$EBROOTHWLOC ' # hwloc support +configopts += '--with-tm=/opt/pbs ' # Enable PBS +configopts += '--enable-mpi-cxx ' # Enable building the C++ MPI bindings +configopts += '--with-ucx=$EBROOTUCX ' -# for PBS Pro 13 -#preconfigopts = 'export LIBS="-ldl" && ' - -# to enable SLURM integration (site-specific) -# configopts += '--with-slurm --with-pmi=/usr/include/slurm --with-pmi-libdir=/usr' - -# needed for --with-verbs osdependencies = [('libibverbs-dev', 'libibverbs-devel', 'rdma-core-devel')] libs = ["mpi_mpifh", "mpi", "ompitrace", "open-pal", "open-rte"] @@ -51,15 +43,9 @@ sanity_check_paths = { x for x in [ "mpi-ext", "mpif-config", "mpif", "mpi", "mpi_portable_platform"]], 'dirs': [], } -import os -if os.environ.get("CLUSTERNAME") in ["BARBORA"]: - modextravars = {'OMPI_MCA_btl_openib_if_include': 'mlx5_0', +modextravars = {'OMPI_MCA_btl_openib_if_include': 'mlx5_0', 'OMPI_MCA_btl_tcp_if_include': '10.33.4.0/24', 'OMPI_MCA_orte_base_help_aggregate': '0', - } -else: - modextravars = {'OMPI_MCA_btl_openib_if_include': 'mlx4_0', - 'OMPI_MCA_oob_tcp_if_include': '10.0.0.0/8', - } + } moduleclass = 'mpi' diff --git a/v/VASP/VASP-5.4.4-intel-2020a-mkl=sequential.eb b/v/VASP/VASP-5.4.4-intel-2020a-mkl=sequential.eb index d5c68cd9..53dc2584 100644 --- a/v/VASP/VASP-5.4.4-intel-2020a-mkl=sequential.eb +++ b/v/VASP/VASP-5.4.4-intel-2020a-mkl=sequential.eb @@ -37,14 +37,13 @@ prebuildopts += 'sed -i "s|\$(MKLROOT)/interfaces/fftw3xf|\$(FFTW_LIB_DIR)|" mak prebuildopts += 'sed -i "s|-mkl=sequential ||" makefile.include && ' # OFLAG = -O2 -xAVX -prebuildopts += 'sed -i "s|OFLAG = -O2|OFLAG = -O3 -ip -xHost|" makefile.include && ' +prebuildopts += 'sed -i "s|OFLAG = -O2|OFLAG = -O2 -ip -xHost|" makefile.include && ' # objects add MKLROOT prebuildopts += 'sed -i "s|OBJECTS = fftmpiw.o fftmpi_map.o fft3dlib.o fftw3d.o|OBJECTS = fftmpiw.o fftmpi_map.o fft3dlib.o fftw3d.o \$(MKLROOT)/lib/intel64_lin/libfftw3xf_intel.a|" makefile.include && ' prebuildopts += 'sed -i "s|FFLAGS = -assume byterecl -w|FFLAGS = -FR -assume byterecl|" makefile.include && ' prebuildopts += 'sed -i "s|BLAS =|BLAS = -mkl=sequential|" makefile.include && ' -prebuildopts += 'sed -i "s|FCL = mpiifort -lstdc++|FCL = mpiifort -mkl=sequential -lstdc++|" makefile.include && ' # VASP uses LIBS as a list of folders prebuildopts += 'unset LIBS && '