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| Application | Version number | Group's application | location (path, on Matrix) | Compiled with, if relevant) (info from ChemIT) | Other notes |
|---|---|---|---|---|---|
| gcc compiler | 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 | |
| mpich | 1.2.7p1 | Czarek | /software/mpich-1.2.7p1_intel-10.1_em64_ssh | intel-10.1? | works with amber10 only? |
This table shows which mpi works with each compiler
...
| 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-10.1_em64_ssh | yes | yes | NO | yes | NO |