[Pw_forum] error in parallel run

Lin Zhuang lzhuang at whu.edu.cn
Mon Nov 20 13:56:18 CET 2006


Dear espresso user:

I have compiled espresso 3.1.1 with icc/ifort 9.1 & LAM/MPI 7.1.2.
When I run the example01, I encountered the following error:
MPI_COMM_WORLD:
Call stack withn LAM
-MPI_Allreduce()
-main()

I read through this mailing list, somebody said this is a bug only in
Intel compiler 9.1, but I also had this error with icc/ifort 9.0.
Somebody suggested to modified the f_def.h, I followed the instruction
and found pw.x can run successfully in most examples except for those
PDOS calculations, but ph.x failed in those examples.

What can I do now? Is there a ultimate solution?

All the best,
Lin Zhuang



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