option, parallelism,...
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davydden
- Posts: 17
- Joined: Fri Feb 15, 2013 6:50 pm
Post
by davydden » Thu Mar 28, 2013 10:48 am
Dear all,
I wonder if there is a way to compile Abinit as a library and use it within (C++,C) main's MPI declarations in a parallel run,
schematically like
Code: Select all
MPI_Init(&narg,&arg);
int me,nprocs;
MPI_Comm_rank(MPI_COMM_WORLD,&me);
MPI_Comm_size(MPI_COMM_WORLD,&nprocs);
Abinit_NS::Abinit *abinit;
abinit = new Abinit_NS::Abinit(0,NULL,MPI_COMM_WORLD);
abinit.run("file.in");
MPI_Finalize();
Thanks in advance,
Regards,
Denis.
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jzwanzig
- Posts: 504
- Joined: Mon Aug 17, 2009 9:25 am
Post
by jzwanzig » Sat Mar 30, 2013 11:32 am
I don't know for sure but I don't think it's possible at this time--but I'm curious, what would be the advantage of doing it? I mean, as compared for example to having a script submit multiple instances of abinit runs to a job scheduler?
Josef W. Zwanziger
Professor, Department of Chemistry
Canada Research Chair in NMR Studies of Materials
Dalhousie University
Halifax, NS B3H 4J3 Canada
jzwanzig@gmail.com
