[Pw_forum] Error in parallel running

[Yangchuan Li]

In-Reply-To: CAPMgbCvnMv=
3CJQ_wGjb2PJymaaK2nySer7q2VVtxn-uTNJKdg at mail.gmail.com

Dear Dr. Giannozzi and Dr. Kondrin,

Thanks for your reply. Finally I got the reason of the problem. It is the
reason of using mismatched MPI package. I will describe it in detail and
hope it may help others with the same problem.

The system I use is Ubuntu 14.04. I can install the QE 5.0.2 package in
ubuntu software center in a easy way. Also, it installed parallel
dependencies(openmpi) so I can run in parallel without consider too much
details. But when I try to compile the latest QE version. The parallel
environment was not detected. So, I installed the mpich2 from software
center. Then the parallel environment is detected. I compiled it actually
by mpich2 package. Then, I run the script by "mpirun", which is still
related to openmpi, which cause the mismatch. When I try "mpirun.mpich", it
worked.

Hope this can help someone with the same problem.

Yangchuan Li
Research Assistant
UT Austin | ME
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