[Pw_forum] forces in parallel espresso 3.0

[Paolo Giannozzi]

On Tuesday 07 February 2006 21:06, Andrea Floris wrote:

> compiler: pgi 5.2-4

from the last version of the users' guide:
"Quantum-ESPRESSO does not work reliably, or not at all, with some
versions (in particular, 5.2) of the Portland Group compiler.
We think that this is due to compiler bugs, not to Quantum-ESPRESSO
bugs."

> rank 3 in job 1 n34_16977 caused
> collective abort of all ranks exit status of rank 3: killed by signal 11

"Random crashes due to MPI errors have often been reported in Linux PC
clusters. We cannot rule out the possibility that bugs in Quantum-ESPRESSO
cause such behavior, but we are quite confident that the likely explanation
is a hardware problem (defective RAM for instance) or a software bug (in MPI
libraries, compiler, operating system)."

P.

-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
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