Undefined Symbol

[idet2]

Trying to run RIDFT in paralllel gives the following error:

ridft_mpi: symbol lookup error: /usr/local/turbomole-5.9.1/libso/x86_64-unknown-linux-gnu_mpi/libmpio.so.1: undefined symbol: hpmp_errors_return


Any ideas???

Best

[idet2]

I have found this thread http://wiki.nscee.edu/index.php/Main_Page where at the very bottom there is a known issue regarding the Platform-MPI and other versions of MPI.

Apparently they cannot be loaded all together.

From what I understand Turbomole ships with a licensed version of Platform-MPI.
On my system I have installed OpenMPI.

I am only loading OpenMPI!

Why are those two mixing? Why is Turbomole trying to use the Platform-MPI instead of using the default OpenMPI??

Best,

G.

[uwe]

Hi,

Turbomole uses IBM Platform MPI and it is neither possible nor necessary to run the binaries with any other MPI version. So you do not need OpenMPI at all, I'd recommend to simply unload the module.

It is really completely sufficient to follow the manual and to set the environment variables PARA_ARCH and PARNODES to switch from the serial to the parallel version. If that does not work on your system, just send an email to the Turbomole support.

Cheers,

Uwe

[idet2]

What about integration with a resource manager/scheduler like Torque?

Does the P-MPI integrate with that?

Regards,

G.

[idet2]

To answer my own question it seems that integrates without any problem!

Thanks Uwe for pointing me to the right direction!

Cheers!