[mephi-hpc] Проблема компиляции QE на кластере cherenkov

[Гараев Дамир Ильдарович]

Добрый день!

При компиляции QuantumEspresso с реализацией MPI - OpenMPI на кластере cherenkov столкнулся со следующей проблемой:

Порядок моих действий следующий:

1) source /opt/openblas-0.3.13/customvars.sh

2) source /opt/fftw-3.3.9/double/customvars.sh

3) export LAPACK_LIBS="-L/usr/lib/libblacs-openmpi.so.1 -lopenblas"

4) export BLAS_LIBS="-L/usr/lib/libblacs-openmpi.so.1 -lopenblas"

5) export SCALAPACK_LIBS="-L/usr/lib/libscalapack-openmpi.so.1.8.0 -lscalapack"

6) ./configure

Результат получается такой:

ESPRESSO can take advantage of several optimized numerical libraries
(essl, fftw, mkl...).  This configure script attempts to find them,
but may fail if they have been installed in non-standard locations.
If a required library is not found, the local copy will be compiled.

The following libraries have been found:
  BLAS_LIBS=-L/usr/lib/libblacs-openmpi.so.1 -lopenblas
  LAPACK_LIBS=-L/usr/lib/libblacs-openmpi.so.1 -lopenblas
  SCALAPACK_LIBS=-L/usr/lib/libscalapack-openmpi.so.1.8.0 -lscalapack
  FFT_LIBS= -lfftw3



Please check if this is what you expect.

If any libraries are missing, you may specify a list of directories
to search and retry, as follows:
  ./configure LIBDIRS="list of directories, separated by spaces"

Parallel environment detected successfully.\
Configured for compilation of parallel executables.

For more info, read the ESPRESSO User's Guide (Doc/users-guide.tex).
--------------------------------------------------------------------
configure: success


7) make -j2 pw

В этот момент появляется ошибка:

/usr/bin/ld: cannot find -lscalapack
collect2: error: ld returned 1 exit status
make[2]: *** [Makefile:314: pw.x] Error 1

Подскажите, как возможно решить данную проблему? Возможно я в чем то ошибаюсь?

Версия QE - qe-7.1.

С уважением,
Гараев Дамир.

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