From 4989f366a70aed8d65b3fd87422cb34b918a69e1 Mon Sep 17 00:00:00 2001 From: Frederick Stein Date: Mon, 19 Dec 2022 10:53:18 +0100 Subject: [PATCH] Remove missing mentions of mpi2 or mpi3 --- benchmarks/QS_DM_LS/README.md | 2 +- src/cp2k_info.F | 1 - tests/TEST_DIRS | 4 ++-- tools/toolchain/scripts/stage1/install_intelmpi.sh | 2 +- 4 files changed, 4 insertions(+), 5 deletions(-) diff --git a/benchmarks/QS_DM_LS/README.md b/benchmarks/QS_DM_LS/README.md index 01122988c1..2d168764a6 100644 --- a/benchmarks/QS_DM_LS/README.md +++ b/benchmarks/QS_DM_LS/README.md @@ -57,7 +57,7 @@ Following results were obtained in the following conditions: - Date: 15th November 2019 - CP2K version: version 7.0 (Development Version, git:78cea8eeebb25e459941d8a28d987c9990d92676) - DBCSR version: v2.0.0-rc9 (git:15fdaba855385f12db7599a6e69b51a7a4ce8a9a) -- CP2K flags: omp libint fftw3 libxc elpa parallel mpi3 scalapack acc pw_cuda +- CP2K flags: omp libint fftw3 libxc elpa parallel scalapack acc pw_cuda xsmm dbcsr_acc max_contr=4 - Machine: Piz Daint (GPU partition), CSCS - Slurm configuration: 2 MPI ranks per node, 12 OpenMP threads per MPI rank diff --git a/src/cp2k_info.F b/src/cp2k_info.F index b62a32b150..d603214852 100644 --- a/src/cp2k_info.F +++ b/src/cp2k_info.F @@ -115,7 +115,6 @@ CONTAINS #endif #if defined(__parallel) flags = TRIM(flags)//" parallel" - flags = TRIM(flags)//" mpi3" #endif #if defined(__SCALAPACK) flags = TRIM(flags)//" scalapack" diff --git a/tests/TEST_DIRS b/tests/TEST_DIRS index 32036baf62..02763b428e 100644 --- a/tests/TEST_DIRS +++ b/tests/TEST_DIRS @@ -35,11 +35,11 @@ QS/regtest-mp2-admm-grad libint QS/regtest-double-hybrid-stress QS/regtest-double-hybrid-grad QS/regtest-hfx-ri-2 libint libxc -QS/regtest-rma libint mpi3 +QS/regtest-rma libint QS/regtest-gapw_xc libint LIBTEST/libvori libvori LIBTEST/libbqb libbqb -QS/regtest-rma-3D libint mpi3 +QS/regtest-rma-3D libint TMC/regtest_ana_on_the_fly parallel mpiranks>2 TMC/regtest parallel mpiranks>1 TMC/regtest_ana_post_proc parallel mpiranks>1 diff --git a/tools/toolchain/scripts/stage1/install_intelmpi.sh b/tools/toolchain/scripts/stage1/install_intelmpi.sh index a89db7a77c..26ee4dc26a 100755 --- a/tools/toolchain/scripts/stage1/install_intelmpi.sh +++ b/tools/toolchain/scripts/stage1/install_intelmpi.sh @@ -89,7 +89,7 @@ export INTELMPI_LIBS="${INTELMPI_LIBS}" export MPI_CFLAGS="${INTELMPI_CFLAGS}" export MPI_LDFLAGS="${INTELMPI_LDFLAGS}" export MPI_LIBS="${INTELMPI_LIBS}" -export CP_DFLAGS="\${CP_DFLAGS} IF_MPI(-D__parallel ${mpi2_dflags}|)" +export CP_DFLAGS="\${CP_DFLAGS} IF_MPI(-D__parallel|)" export CP_CFLAGS="\${CP_CFLAGS} IF_MPI(${INTELMPI_CFLAGS}|)" export CP_LDFLAGS="\${CP_LDFLAGS} IF_MPI(${INTELMPI_LDFLAGS}|)" export CP_LIBS="\${CP_LIBS} IF_MPI(${INTELMPI_LIBS}|)"