CCL: ORCA parallel setup

[Tobias Schwabe <tobba|*|uni-muenster.de>]

 Sent to CCL by: Tobias Schwabe [tobba---uni-muenster.de]
 Hi Igor,
 On 02/09/2012 02:14 PM, igor novak inovak]_[csu.edu.au wrote:
>  Sent to CCL by: "igor  novak" [inovak .. csu.edu.au] Dear Netters, I
>  am trying to set up ORCA ab initio package to run in parallel mode
>  (on SuSE Linux workstation) but was not successful. I have installed
>  openmpi and added openmpi path to my .profile but parallel job still
>  aborts. Perhaps someone can send me the working Linux .profile
>  file?? Many thanks
As you're not providing any more details about your crashes, I just
 can
 guess what's your problem. On our SuSE systems the following works
 perfectly:
 source <your ompi-path>/bin/openmpi.sh
 <your ORCA-installation path>/orca <input>  >  <output>
Note, as you can see in the manual, that you have to provide the FULL
 installation path when starting a parallel ORCA run.
Next, check "ldd orca_scf_mpi" if your binary is linked
 against the
 openmpi-library you expect.
And a final source of error might be that you use a 64-bit version of
 ORCA, but compiled your openmpi not with long integers (not sure if
 that's necessary).
 Regards,
 	Tobias