From 0c55da571ca160eeefcab28c98bea099f28ec47b Mon Sep 17 00:00:00 2001 From: Ye Luo Date: Mon, 4 Feb 2019 10:37:12 -0600 Subject: [PATCH] Turn off AFQMC by default. Explicitly turn on AFQMC in CI GNU builds. --- CMakeLists.txt | 29 ++++++++--------------- tests/test_automation/jenkins_rhea_cpu.sh | 2 +- 2 files changed, 11 insertions(+), 20 deletions(-) diff --git a/CMakeLists.txt b/CMakeLists.txt index 3bcb4371d..a1ff04279 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -193,10 +193,16 @@ IF(MIXED_PRECISION AND BUILD_LMYENGINE_INTERFACE) MESSAGE(STATUS "LMY engine is not compatible with CPU mixed precision build! Disabling LMY engine") SET(BUILD_LMYENGINE_INTERFACE 0) ENDIF() -IF(QMC_MPI AND QMC_COMPLEX AND NOT MIXED_PRECISION AND NOT QMC_CUDA) - SET(BUILD_AFQMC 1 CACHE BOOL "Build with AFQMC") -ELSE() - SET(BUILD_AFQMC 0 CACHE BOOL "Build with AFQMC") +SET(BUILD_AFQMC 0 CACHE BOOL "Build with AFQMC") +# AFQMC requires MPI. Works with neither real nor mixed precision builds. +If (BUILD_AFQMC AND NOT QMC_MPI) + MESSAGE(FATAL_ERROR "AFQMC requires building with MPI (QMC_MPI=1). Set BUILD_AFQMC=0 or configure MPI.") +ENDIF() +If (BUILD_AFQMC AND NOT QMC_COMPLEX) + MESSAGE(FATAL_ERROR "AFQMC requires building with QMC_COMPLEX=1 for now.") +ENDIF() +If (BUILD_AFQMC AND MIXED_PRECISION) + MESSAGE(FATAL_ERROR "AFQMC requires building with QMC_MIXED_PRECISION=0 for now.") ENDIF() SET(BUILD_FCIQMC 0 CACHE BOOL "Build with FCIQMC") #SET(BUILD_QMCTOOLS 1 CACHE BOOL "Build tools for QMCPACK") @@ -515,21 +521,6 @@ IF (BUILD_AFQMC AND NOT MKL_FOUND) MESSAGE(WARNING "AFQMC - MKL not found, using simple sparse matrix routines. Link with MKL sparse libraries for better performance.") ENDIF() -# AFQMC requires MPI -If (BUILD_AFQMC AND NOT QMC_MPI) - MESSAGE(FATAL_ERROR "AFQMC requires building with MPI (QMC_MPI=1). Set BUILD_AFQMC=0 or configure MPI.") -ENDIF() - -# AFQMC does not work with real builds for now -If (BUILD_AFQMC AND NOT QMC_COMPLEX) - MESSAGE(FATAL_ERROR "AFQMC requires building with QMC_COMPLEX=1 for now.") -ENDIF() - -# AFQMC does not work with mixed precision builds for now -If (BUILD_AFQMC AND MIXED_PRECISION) - MESSAGE(FATAL_ERROR "AFQMC requires building with QMC_MIXED_PRECISION=0 for now.") -ENDIF() - IF (BUILD_AFQMC AND NOT APPLE) LINK_LIBRARIES("rt") ENDIF() diff --git a/tests/test_automation/jenkins_rhea_cpu.sh b/tests/test_automation/jenkins_rhea_cpu.sh index d95fd308e..f3c8e64d0 100755 --- a/tests/test_automation/jenkins_rhea_cpu.sh +++ b/tests/test_automation/jenkins_rhea_cpu.sh @@ -89,7 +89,7 @@ rm -rf ./${BUILD_TAG}-build mkdir -p ${BUILD_TAG}-build cd ${BUILD_TAG}-build -cmake -DQMC_COMPLEX=1 -DQMC_MIXED_PRECISION=0 -DCMAKE_C_COMPILER="mpicc" -DCMAKE_CXX_COMPILER="mpicxx" -DBLAS_blas_LIBRARY="/usr/lib64/libblas.so.3" -DLAPACK_lapack_LIBRARY="/usr/lib64/atlas/liblapack.so.3" -DHDF5_INCLUDE_DIR="/sw/rhea/hdf5/1.8.11/rhel6.6_gnu4.8.2/include" /tmp/${BUILD_TAG}-src 2>&1 | tee cmake.out +cmake -DQMC_COMPLEX=1 -DQMC_MIXED_PRECISION=0 -DBUILD_AFQMC=1 -DCMAKE_C_COMPILER="mpicc" -DCMAKE_CXX_COMPILER="mpicxx" -DBLAS_blas_LIBRARY="/usr/lib64/libblas.so.3" -DLAPACK_lapack_LIBRARY="/usr/lib64/atlas/liblapack.so.3" -DHDF5_INCLUDE_DIR="/sw/rhea/hdf5/1.8.11/rhel6.6_gnu4.8.2/include" /tmp/${BUILD_TAG}-src 2>&1 | tee cmake.out make -j 24 ctest -L unit --output-on-failure