Molcas Forum

David

Member

Registered: 2017-05-16

Posts: 85

OpenBlas problem

Hi everyone ! I tried to compile the openmolcas parallel version, something goes wrong during the cmake step. In the previous step, I compiled the openblas with the option "NO_LAPACK=0", however, the following imformation seem indicate that it didn't work, anyone knows why? Thank you! the error imformation see below.

-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
Detecting Molcas version info:
-- OPENMOLCAS_VERSION: unknown
Detecting system info:
-- OS: Linux-x86_64
-- ADDRMODE: 64
-- PLATFORM: LINUX64
Configuring with external GA library:
-> no libibverbs dependency found for GA.
-- GA_INCLUDE_PATH: /backup/home/fangyg/bin/OpenMolcas-parallel/global-arrays/include
-- GA_LIBRARIES: /backup/home/fangyg/bin/OpenMolcas-parallel/global-arrays/lib/libga.a;/backup/home/fangyg/bin/OpenMolcas-parallel/global-arrays/lib/libarmci.a
Configuring with MPI parallellization:
-- Found MPI_C: /usr/local/openmpi1.8.1.gnu/lib/libmpi.so  
-- Found MPI_Fortran: /usr/local/openmpi1.8.1.gnu/lib/libmpi_usempi.so;/usr/local/openmpi1.8.1.gnu/lib/libmpi_mpifh.so;/usr/local/openmpi1.8.1.gnu/lib/libmpi.so  
-- MPI_C_INCLUDE_PATH: /usr/local/openmpi1.8.1.gnu/include
-- MPI_Fortran_INCLUDE_PATH: /usr/local/openmpi1.8.1.gnu/include;/usr/local/openmpi1.8.1.gnu/lib
-- MPI_C_LIBRARIES: /usr/local/openmpi1.8.1.gnu/lib/libmpi.so
-- MPI_Fortran_LIBRARIES: /usr/local/openmpi1.8.1.gnu/lib/libmpi_usempi.so;/usr/local/openmpi1.8.1.gnu/lib/libmpi_mpifh.so;/usr/local/openmpi1.8.1.gnu/lib/libmpi.so
-- MPIEXEC: /usr/local/openmpi1.8.1.gnu/bin/mpiexec
-- MPI_IMPLEMENTATION: openmpi
Configuring linear algebra libraries:
-- Using OpenBLAS LAPACK+BLAS libraries
-- OPENBLASROOT = /backup/home/fangyg/bin/OpenMolcas-parallel/openblas
-- Checking OpenBLAS for 64-bit integer interface...
-- Looking for OPENBLAS_USE64BITINT
-- Looking for OPENBLAS_USE64BITINT - found
-- Checking OpenBLAS for LAPACK functionality...
-- Looking for Fortran dsyev
-- Looking for Fortran dsyev - not found
CMake Error at CMakeLists.txt:1424 (message):
  LAPACK functionality missing from OpenBLAS library, please build OpenBLAS
  with NO_LAPACK=0 defined.


-- Configuring incomplete, errors occurred!

David

Member

Registered: 2017-05-16

Posts: 85

Re: OpenBlas problem

I refer to the openmolcas manual, the openblas compiling option is "make USE_OPENMP=1 NO_LAPACK=0 INTERFACE64=1 BINARY=64 DYNAMIC_ARCH=1"