In-Reply-To: CAPMgbCvnMv= [email protected]
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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