Notes for molcas-8.0-15.06.18_OpenMPI_Ubuntu_14.04_x86_64
Software requirements
- gfortran and gcc
- perl
- OpenMPI 1.6.5
Installation
To install the .tgz package, run:
$ tar xzf molcas-8.0-15.06.18_OpenMPI_Ubuntu_14.04_x86_64.tgz
$ cd molcas-8.0-15.06.18_OpenMPI_Ubuntu_14.04_x86_64
$ ./install
and edit the RUNBINARY entry from the molcas.rte file to specify the correct absolute path to the mpirun command.
To verify the installation, run:
$ molcas verify -path /tmp
