[ESPResSo-users] Installing Espresso-MPI issue

[Vincent Ustach]

Hello, first time using the mailing list!

I am installing Espresso 3.1.1 for the first time on a shared cluster. During configuration the system can not find MPI_init and as a result will not parallelize. The relevant code in ./configure starts looking for the MPI at line 4028. 

I have two ideas:

-- I am wondering if Espresso can not find the proper MPI file, in which case how do I direct it to the proper location during configuration?

-- The user guide provided on the web page says MPI standard version 1.2 is required. We only have later versions on this cluster:

/opt/modulefiles/mpi

 

openmpi/1.4.2-gnu45-ib

openmpi/1.4.2-intel11-ib

openmpi/1.4.2-pgi90-ib

openmpi/1.4.3-gnu45-ib

openmpi/1.4.3-intel12-ib(default)

openmpi/1.4.4-gnu462-ib

openmpi/1.4.4-intel12-ib

openmpi/1.4.5-gnu470-ib

openmpi/1.5.3-intel12-ib

mvapich2/1.7-gnu45-ib

mvapich2/1.7-intel11-ib

mvapich2/1.7-pgi90-ib

osc-mpiexec/0.83

osc-mpiexec/0.84

Do I need to install an openmpi/1.2 ?

Thank you,

Vincent Ustach
University of California, Davis