Abinit 7.2.1 scaling problem

ChrisKue · Post by **ChrisKue** » Wed May 29, 2013 1:42 pm

Hi,

I have built Abinit 7.2.1 with IBM MPI and GNU compilers. Now, I encounter a problem with large scaling calculations. If I scale a calculation on more than 200 processors I will get some problems in the MPI communication. This problem only occurs when I do not set the parameter istwfk. If I set istwfk to 1 the calculation works.

I read the documentation but there is not really a explanation what istwfk change exactly in the progress of abinit. I suppose the mpi communication problem has something to do with the memory handling or I/O communication.

Anyone know how istwfk exactly change the memory handling or create swap files or do something else what could be connected to this problem?

Thanks in advanced!

Chris