Dear all,
When I tried to run abinit as sequential like this:
~/abinit-6.0.2/src/98_main/abinit < input.files >& output.log
I got an error message:
isfile : ERROR -
Checks for existence of file input.in
but INQUIRE finds file does not exist. Action : check file name and re-run.
But, when I run abinit as parallel with the same input (in the same directory):
/usr/local/mpich-intel91/bin/mpirun -np 1 -machinefile "blah-blah-blah" ~/abinit-6.0.2/src/98_main/abinit < input.files >& output.log
I got no errors... seemed successful.
Did I forget to configure anything ??
It might be related to the error that I reported before ? (viewtopic.php?f=18&t=61)
Regards,
Masayoshi
seq & paral run of abinit (6.0.x)
Moderators: fgoudreault, mcote
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Please have a look at ~abinit/doc/config/build-config.ac in the source package for detailed and up-to-date information about the configuration of Abinit 8 builds.
For a video explanation on how to build Abinit 7.x for Linux, please go to: http://www.youtube.com/watch?v=DppLQ-KQA68.
IMPORTANT: when an answer solves your problem, please check the little green V-like button on its upper-right corner to accept it.
Please have a look at ~abinit/doc/config/build-config.ac in the source package for detailed and up-to-date information about the configuration of Abinit 8 builds.
For a video explanation on how to build Abinit 7.x for Linux, please go to: http://www.youtube.com/watch?v=DppLQ-KQA68.
IMPORTANT: when an answer solves your problem, please check the little green V-like button on its upper-right corner to accept it.
Re: seq & paral run of abinit (6.0.x)
If you configured Abinit with --enable-mpi, running in serial mode may produce unexpected results, which depend on the MPI implementation you use.
If you want to be able to run both serial and parallel versions, the best is likely to build Abinit twice, once with --enable-mpi and the other with --disable-mpi. To easily differentiate the binaries, you may of course use the --program-suffix option of configure, which will change the names of the executables when you run "make install".
E.g.:
will put all binaries in $HOME/hpc/bin/ without overwriting the files.
If you want to be able to run both serial and parallel versions, the best is likely to build Abinit twice, once with --enable-mpi and the other with --disable-mpi. To easily differentiate the binaries, you may of course use the --program-suffix option of configure, which will change the names of the executables when you run "make install".
E.g.:
Code: Select all
mkdir tmp-serial && cd tmp-serial && ../configure --disable-mpi --program-suffix="-serial" --prefix="$HOME/hpc" && make && cd src/98_main && make install
mkdir tmp-mpi && cd tmp-mpi && ../configure --enable-mpi --with-mpi-prefix=/usr/local/openmpi --program-suffix="-mpi" --prefix="$HOME/hpc" && make && cd src/98_main && make install
will put all binaries in $HOME/hpc/bin/ without overwriting the files.
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain
Simune Atomistics
Donostia-San Sebastián, Spain
[SOLVED] seq & paral run of abinit (6.0.x)
Merci beaucoup! It has been solved.