code_aster 14.4 parallel version with PETSc

This page is a note of the work to build parallel version.

The linux box is xUbuntu 18.04LTS on VMware.

0.preparation

Preparation is same as the case of CodeAster 14.4.
Some packages are installed as follows.

$sudo apt-get install  gfortran g++ python-dev python-numpy liblapack-dev libblas-dev tcl tk zlib1g-dev bison flex checkinstall openmpi-bin libx11-dev cmake grace gettext libboost-all-dev swig

And install superlu package.

$sudo apt-get install libsuperlu-dev
1.OpenBLAS

To get source code from author’s HP. Then execute following procedure.

$ tar xfvz OpenBLAS-0.2.20.tar.gz
$ cd OpenBLAS-0.2.20
$ make NO_AFFINITY=1 USE_OPENMP=1
$ make PREFIX=/opt/OpenBLAS install
$ echo /opt/OpenBLAS/lib | sudo tee -a /etc/ld.so.conf.d/openblas.conf
$ sudo ldconfig
2.Code_Aster eith OpenBLAS
First, the source code of code_aster is unpacked. Next, “setup.py” is modified according to the reference.
$ cd aster-full-src-14.4.0
$ sed -i "s:PREFER_COMPILER\ =\ 'GNU':PREFER_COMPILER\ =\'GNU_without_MATH'\nMATHLIB=\ '/opt/OpenBLAS/lib/libopenblas.a':g" setup.cfg

And

$ python3 setup.py install

After the build complete, to make host file for parallel calculation.

$ echo "$HOSTNAME cpu=$(cat /proc/cpuinfo | grep processor | wc -l)" > /opt/aster/etc/codeaster/mpi_hostfile
3.ScaLAPACK
$ tar xfvz scalapack_installer.tgz
$ cd scalapack_installer
$ ./setup.py --lapacklib=/opt/OpenBLAS/lib/libopenblas.a --mpicc=mpicc --mpif90=mpif90 --mpiincdir=/usr/lib/x86_64-linux-gnu/openmpi/include --ldflags_c=-fopenmp --ldflags_fc=-fopenmp --prefix=/opt/scalapack-n
Over.
4.Parmetis

Get source code and unpack it. Integer size is 8 byte in this work.
#define IDXTYPEWIDTH 64″ and “#define REALTYPEWIDTH 32” is written in ~/parmetis-4.0.3/metis/include/metis.h. or add followings to metis.h

#ifdef INTSIZE32
#define IDXTYPEWIDTH 32
#else
#define IDXTYPEWIDTH 64
#endif

then

$ tar xvf parmetis-4.0.3.tar.gz
$ cd parmetis-4.0.3
$ make config prefix=/opt/parmetis-4.0.3
$ make

Next, checking.

$ cd Graphs
$ mpirun -np 8 ptest rotor.graph rotor.graph.xyz

When any error is reported, go to~/parmetis-4.0.3 and execute follows:

$ make install

This part is finished.

5.Scotch and Ptscotch

Unpack scotch-6.0.4-aster5.tar.gz which is included the package of code_aster in /opt.

$ cd /opt/scotch-6.0.4/src

Makefile.inc is here

$ make scotch esmumps ptscotch ptesmumps CCD=mpicc

After building, check it.

$ make check
$ make ptcheck

This part is finised.

6.MUMPS

Pick mumps-5.1.2-aster6.tar.gz from the package of code_aster out and unpack it. The name of folder is changed to mumps-5.1.2_mob.

$ cd /opt/mumps-5.1.2_mob

Makefile.inc is.here.

$ make all

Next, to go to ~/examples and check the MUMPS.

7.Petsc

petsc-3.9.4.tar.gz is downloaded from author’s HP. Then unpack it in /opt. First , a few line (line 43 to 48) is commented out metis.py in /opt/petsc-3.9.4/config/BuildSystem/config/packages.

def configureLibrary(self):
config.package.Package.configureLibrary(self)
oldFlags = self.compilers.CPPFLAGS
self.compilers.CPPFLAGS += ' '+self.headers.toString(self.include)
# if not self.checkCompile('#include "metis.h"', '#if (IDXTYPEWIDTH != '+ str(self.getDefaultIndexSize())+')\n#error incompatible IDXTYPEWIDTH\n#endif'):
# if self.defaultIndexSize == 64:
# msg= '--with-64-bit-indices option requires a metis build with IDXTYPEWIDTH=64.\n'
# else:
# msg= 'IDXTYPEWIDTH=64 metis build appears to be specified for a default 32-bit-indices build of PETSc.\n'
# raise RuntimeError('Metis specified is incompatible!\n'+msg+'Suggest using --download-metis for a compatible metis')

And when openmpi is used, path to openmpi library is added to LD_LIBRARY_PATH. Next is a sample.

$ export LD_LIBRARY_PATH =/usr/lib/x86_64-linux-gnu/openmpi/lib/:$LD_LIBRARY_PATH

Then, “configure” is done.

$./configure --with-debugging=0 COPTFLAGS=-O CXXOPTFLAGS=-O FOPTFLAGS=-O --with-shared-libraries=0 --with-scalapack-dir=/opt/scalapack-n --PETSC_ARCH=linux-metis-mumps --with-metis-dir=/opt/aster/public/metis-5.1.0 --with-parmetis-dir=/opt/parmetis-4.0.3 --with-ptscotch-dir=/opt/scotch-6.0.4 --LIBS="-lgomp" --with-mumps-dir=/opt/mumps-5.1.2_mob -with-x=0 --with-blas-lapack-lib=[/opt/OpenBLAS/lib/libopenblas.a] --download-hypre=yes --download-ml=yes

and “make”

$ make PETSC_DIR=/opt/petsc-3.9.4 PETSC_ARCH=linux-metis-mumps all
8.Parallel version Code_Aster

Go to the folder stored the source code of code_aster. And unpack aster-14.4.0.

$ cd ~/Install_Files
$ cd aster-full-src-14.4.0/SRC
$ tar xfvz aster-14.4.0.tgz
$ cd aster-14.4.0

Next a part of ~/waftools/mathematics.py is modified to skip the checking of blacs.

# program testing a blacs call, output is 0 and 1
blacs_fragment = r"""
program test_blacs
    integer iam, nprocs
#    call blacs_pinfo (iam, nprocs)
#    print *,iam
#    print *,nprocs
end program test_blacs
"""

Then copy Ubuntu_gnu.py and Ubuntu_gnu_mpi.py to the folder. Now preparation of build is ready.

$ export ASTER_ROOT=/opt/aster
$ export PYTHONPATH=/$ASTER_ROOT/lib/python3.6/site-packages/:$PYTHONPATH
$ ./waf configure --use-config-dir=$ASTER_ROOT/14.4/share/aster --use-config=Ubuntu_gnu_mpi --prefix=$ASTER_ROOT/PAR14.4MUPT
$ ./waf install -p --jobs=1

When build is finished. add register the parallel version to /opt/aster/etc/codeaster/aster.

# Code_Aster versions
# versions can be absolute paths or relative to ASTER_ROOT
# examples : NEW11, /usr/lib/codeaster/NEW11

# default version (overridden by --vers option)
default_vers : stable

# available versions
# DO NOT EDIT FOLLOWING LINE !
#?vers : VVV?
vers : stable:/opt/aster/14.4/share/aster
vers : 13.6MUPT:/opt/aster/PAR14.4MUPT/share/aster

Whole work is finished.
I got many information from Code_aster forum. I appreciate the form members.



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