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Turn off AFQMC by default. 

Explicitly turn on AFQMC in CI GNU builds.
This commit is contained in:
Ye Luo 2019-02-04 10:37:12 -06:00
parent c35ef41625
commit 0c55da571c
2 changed files with 11 additions and 20 deletions
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29
CMakeLists.txt
View File

@ -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()

2
tests/test_automation/jenkins_rhea_cpu.sh
View File

@ -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