[CP2K-user] error in compling CP2K using toolchain

[zho...@gmail.com]

Thank you for your kind suggesstion！I checked the configure.log, but I am 
still not sure what contributes to the error. I touched the configure.log 
below, could you help me analyze it? Thanks!
在2020年7月29日星期三 UTC+8 下午3:01:27<fa... at gmail.com> 写道：

> Hi,
>
> You have to check the appropriate log file to find the error:
>
> build/scalapack-2.1.0/build/configure.log
>
> Best,
> Fabian
>
> On Wednesday, 29 July 2020 04:14:05 UTC+2, zho... at gmail.com wrote:
>>
>> Hi Everyone,
>> I meet a difficulty in compling CP2K using toolchain. Here is the error 
>> in installing ScaLAPACK.
>> ==================== Installing ScaLAPACK ====================
>> scalapack-2.0.2.tgz is found
>> Installing from scratch into 
>> /home/wangzl/cp2k-7.1.0/tools/toolchain/install/scalapack-2.0.2
>> ERROR: (./scripts/install_scalapack.sh, line 47) Non-zero exit code 
>> detected.
>> and the error in make.log is following
>> make[2]: *** [CMakeFiles/scalapack.dir/build.make:661: 
>> CMakeFiles/scalapack.dir/BLACS/SRC/sgamx2d_.c.o] Error 1
>> make[1]: *** [CMakeFiles/Makefile2:877: CMakeFiles/scalapack.dir/all] 
>> Error 2
>> I tried to search sgamx2d_.c.o in CMakeFiles/scalapack.dir/BLACS/SRC but 
>> fail to find. I am puzzling now. Can anyone help me? Thanks!
>>
>
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-- The C compiler identification is GNU 9.3.0
-- The Fortran compiler identification is GNU 9.3.0
-- Check for working C compiler: /usr/bin/gcc
-- Check for working C compiler: /usr/bin/gcc -- works
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Detecting C compile features
-- Detecting C compile features - done
-- Check for working Fortran compiler: /usr/bin/gfortran
-- Check for working Fortran compiler: /usr/bin/gfortran  -- works
-- Detecting Fortran compiler ABI info
-- Detecting Fortran compiler ABI info - done
-- Checking whether /usr/bin/gfortran supports Fortran 90
-- Checking whether /usr/bin/gfortran supports Fortran 90 -- yes
-- Found MPI_C: /usr/local/lib/libmpi.so (found version "3.1") 
-- Found MPI_Fortran: /usr/local/lib/libmpi_usempif08.so (found version "3.1") 
-- Found MPI: TRUE (found version "3.1")  
-- Found MPI_LIBRARY : TRUE 
-- --> MPI C Compiler : /usr/local/bin/mpicc
-- --> C Compiler : /usr/local/bin/mpicc
-- --> MPI Fortran Compiler : /usr/local/bin/mpif90
-- --> Fortran Compiler : /usr/local/bin/mpif90
-- Reducing RELEASE optimization level to O2
-- =========
-- Compiling and Building BLACS INSTALL Testing to set correct variables
-- Configure in the INSTALL directory successful
-- Build in the BLACS INSTALL directory successful
-- =========
-- Testing FORTRAN_MANGLING
-- CDEFS set to Add_
-- =========
-- CHECKING BLAS AND LAPACK LIBRARIES
-- --> Searching for optimized LAPACK and BLAS libraries on your machine.
-- Looking for Fortran sgemm
-- Looking for Fortran sgemm - not found
-- Looking for pthread.h
-- Looking for pthread.h - found
-- Performing Test CMAKE_HAVE_LIBC_PTHREAD
-- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Failed
-- Looking for pthread_create in pthreads
-- Looking for pthread_create in pthreads - not found
-- Looking for pthread_create in pthread
-- Looking for pthread_create in pthread - found
-- Found Threads: TRUE  
-- Looking for Fortran sgemm
-- Looking for Fortran sgemm - found
-- Found BLAS: /home/wangzl/cp2k-7.1.0/tools/toolchain/install/openblas-0.3.6/lib/libopenblas.so  
-- Looking for Fortran cheev
-- Looking for Fortran cheev - found
-- A library with LAPACK API found.
-- BLAS library: /home/wangzl/cp2k-7.1.0/tools/toolchain/install/openblas-0.3.6/lib/libopenblas.so
-- LAPACK library: /home/wangzl/cp2k-7.1.0/tools/toolchain/install/openblas-0.3.6/lib/libopenblas.so
-- =========
-- Configuring done
-- Generating done
CMake Warning:
  Manually-specified variables were not used by the project:

    CMAKE_INSTALL_LIBDIR


-- Build files have been written to: /home/wangzl/cp2k-7.1.0/tools/toolchain/build/scalapack-2.0.2/build