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Table listing all compilers and MPI applications on Matrix
| Application | Version number | Group's application | location (path, on Matrix) | Compiled with, if relevant) (info from ChemIT)mpi, if relevant (info from group members) | Other notes | |||||
|---|---|---|---|---|---|---|---|---|---|---|
| gcc compliercompiler | 4.47 | Czarek | /usr/bin/gcc | N/A | ||||||
| Intel compiler | 11.1 20100414 | Yi | /software/intel | N/A | ||||||
| Intel compiler | 2015.0.090 | Yi | /software/intel_2015.0.090 | N/A | Profile setting: source /software/intel_2015.0.090/bin/ifortvars.csh intel64 | |||||
| PGI compiler | 1.9-0 | Czarek | /software/pgi | N/A | does not work with mpich2-1.4.1p1-intel | |||||
| mpich2 | 1.4 | Czarek | /software/mpich2-1.4 | ? | ||||||
| mpich2 | 1.4.1p1 | Czarek | /software/mpich2-1.4.1p1-intel | intel_2015.0.090 | ||||||
| openmpi | 1.4.3 | Czarek | /software/openmpi-1.4.3 | ? | ||||||
| openmpi | 1.6.5 | Czarek | /software/openmpi-1.6.5-intel | intel_2015.0.090 | PGI compiler | |||||
| mpich | 1.2.9-07p1 | Czarek | /software/ | pgiN/A | does not work with mpich2 | mpich-1. | 42. | 1p1-intel7p1_intel-10.1_em64_ssh | intel-10.1? | works with amber10 only? |
This table shows which mpi works with each compiler
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| intel_2015.0.090 | gcc4.47 | gfortran4.47 | intel_11.1 20100414 | PGI | |||
|---|---|---|---|---|---|---|---|
| mpich2-1.4.1p1-intel | yes | NO | NO | NO | NO | ||
| mpich2-1.4 | yes (but gives some warnings about alignment 16 of symbol `mpifcmb4_') | yes | yes (-lmpl -lpthread is necessary) | yes | yes | ||
| openmpi-1.6.5-intel | yes | yes | yes | NO | yes | ||
| openmpi-1.4.3 | yes | yes | yes | yes | yes | ||
| mpich-1.2.7p1_intel- | gcc-410.1 | .2-33-_em64_ssh | yes | NOyes | NO | yes | NO |