[Pw_forum] Calculation stopped at the beginning of ph.x process
flux_ray12 at 163.com
Fri Feb 10 14:46:49 CET 2012
Dear Prof. Giannozzi, thank you very much.
Now I solve that problem. Actually, I tried ifort 12 and falled, again, but the some information provided, as:
from diropn : error # 21
Then I downloaded the old version, QE 4.2.1 (previous one was QE 4.3.2), and compiled it by ifort 12. Up to now, the parallel running of ph.x is fine.
CMC Lab, Materials Science & Engineering Department,
Seoul National University, South Korea
At 2012-02-09 23:08:39,"Paolo Giannozzi" <giannozz at democritos.it> wrote:
>On Thu, 2012-02-09 at 22:15 +0800, GAO Zhe wrote:
>> I ran the same input file in my own computer, with mpich2 1.4.1p1
>> and ifort 12. It worked well at least up to the "break point".
>> Is this problem caused by the fortran compilor PGI 9.0?
>likely so. Try to run with debug flags; if it is not a compiler
>bug you should get some more info
>Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
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