subprocess.CalledProcessError when building MEAM

LAMMPS LAMMPS Mailing List Mirror
1

Dear,

I am trying to build the MEAM package, and I get a Python error:

:src$ make -j1 lib-meam args="-m mpi"

Installing lib meam

Building libmeam.a …

Traceback (most recent call last):

File “Install.py”, line 95, in

txt = subprocess.check_output(cmd,shell=True,stderr=subprocess.STDOUT)

File “/apps/leuven/skylake/2018a/software/Python/2.7.14-intel-2018a/lib/python2.7/subprocess.py”, line 219, in check_output

raise CalledProcessError(retcode, cmd, output=output)

subprocess.CalledProcessError: Command ‘make -f Makefile.auto clean; make -f Makefile.auto -j36’ returned non-zero exit status 2

I have loaded the following modules in my build environment:

Currently Loaded Modules:

  1. GCCcore/6.4.0 12) numactl/2.0.11-GCCcore-6.4.0

  2. binutils/2.28-GCCcore-6.4.0 13) hwloc/1.11.8-GCCcore-6.4.0

  3. icc/2018.1.163-GCC-6.4.0-2.28 14) bzip2/1.0.6-GCCcore-6.4.0

  4. ifort/2018.1.163-GCC-6.4.0-2.28 15) zlib/1.2.11-GCCcore-6.4.0

  5. iccifort/2018.1.163-GCC-6.4.0-2.28 16) libreadline/7.0-GCCcore-6.4.0

  6. impi/2018.1.163-iccifort-2018.1.163-GCC-6.4.0-2.28 17) ncurses/6.0-GCCcore-6.4.0

  7. iimpi/2018a 18) Tcl/8.6.8-GCCcore-6.4.0

  8. imkl/2018.1.163-iimpi-2018a 19) SQLite/3.21.0-GCCcore-6.4.0

  9. intel/2018a 20) GMP/6.1.2-GCCcore-6.4.0

  10. FFTW/3.3.8-intel-2018a 21) libffi/3.2.1-GCCcore-6.4.0

  11. CUDA/9.1.85 22) Python/2.7.14-intel-2018a

Would you please help me solve this issue?

Regards,

Ehsan.

2

Dear,

I am trying to build the MEAM package, and I get a Python error:

don’t even try to install MEAM. MEAM has been deprecated for a while.
install the USER-MEAMC package instead. it provides all functionality of MEAM and then some, is written in C++, not Fortran, and is faster, too.

same for REAX, BTW.

axel.

p.s.: there is not enough information below to provide any help, but for starters, i would try to compile LAMMPS with gcc/g++/gfortran before trying to compile with the intel compilers, as those keep changing flags and settings all the time and thus always require tweaking of Makefiles.