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#1 2019-06-11 09:19:31
- lise
- Member
- From: Orsay
- Registered: 2019-02-14
- Posts: 11
- Website
compile/link with both MPI and openMP
Hello,
is it possible to generate openmolcas with both Mpi and openmp (-DMPI=ON -DOPENMP=ON)? the choice of Mpi or openmp is then made when launching openmolcas.
or compile/link both serial version and openMP? The choice of serial or openMP.......
thank you for your help
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#2 2019-06-11 13:07:43
- lise
- Member
- From: Orsay
- Registered: 2019-02-14
- Posts: 11
- Website
Re: compile/link with both MPI and openMP
I've seen in an other topic that the two: MPI and OpenMP was used together to generate openMolcas.
So my question won't be necessary, sorry
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#3 2019-06-12 16:26:28
- Ignacio
- Administrator
- From: Uppsala
- Registered: 2015-11-03
- Posts: 1,012
Re: compile/link with both MPI and openMP
OpenMP is only supported on the external linear algebra library you use (or other external packages like QCMaquis). Be careful if you use both OpenMP and MPI, since very likely the number of (OpenMP) threads specified is per (MPI) process, so make sure you don't have more total threads than cores.
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