Re: [OMPI users] parallel AMBER & PBS issue

2008-06-21 Thread Jeff Squyres
Sorry for the delay in replying -- I was on vacation for a week and all the mail piled up... That is a very weird stack trace. Is the application finishing and then crashing during the shutdown? I'd be surprised if the problem is actually related to PBS (the stack trace would be quite di

[OMPI users] parallel AMBER & PBS issue

2008-06-12 Thread Arturas Ziemys
Hi, We have Xeon dual cpu cluster on redhat. I have compiled openMPI 1.2.6 with g95 and AMBER (scientific program doing parallel molecular simulations; Fortran 77&90). Both compilation seems to be fine. However, AMBER runs from command prompt "mpiexec -np x " successfully, but using PBS batch