running abinit on Tianhe I, NUDT

MULTIBINIT, aTDEP, ANADDB, optics, cut3d, mrg* postprocessors

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jydai
Posts: 8
Joined: Mon Sep 19, 2011 3:03 pm

running abinit on Tianhe I, NUDT

Post by jydai » Thu Nov 17, 2011 3:29 am

Dear developers,

I am running abinit on Tianhe I NUDT. The complier is MPI2 with ifort 10.1, and the parallelation looks like very efficient for SCF calculations. However, when i want to calculate the NSCF and ddk part, some errors accure. Attachments are the input and output files. Could any body tell me what are the problems? The message likes this: application called MPI_Abort(MPI_COMM_WORLD, 13) - process 7

Best wishes.

Jiayu Dai.
NUDT
Attachments
Al.scf.in
(1.58 KiB) Downloaded 229 times
Al.scf.out
(20.99 KiB) Downloaded 237 times
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