[Pw_forum] cvs version in parallel, a problem
kondor.jess at gmail.com
Thu Dec 27 18:59:45 CET 2007
I understand, that CVS version is under development and might not work, but
in that version a bug in Berry Phase calculation is fixed, so I prefer to
use CVS version instead official one.
I have noticed that pwscf crashes in parallel (compiled by ifort 9.1,
mvapich) , when more than 2 cores is used. Test example is an 'atom.in' file
provided in ' tests/' . The error message is:
Initial potential from superposition of free atoms
starting charge 6.00000, renormalised to 6.00000
negative rho (up, down): 0.101E-04 0.000E+00
Starting wfc are 4 atomic + 2 random wfc
mpirun_rsh: Abort signaled from 
Checking atom...1 - MPI_REQUEST_FREE : Invalid mpi_request handle
  Aborting Program!
Does anybody notice the same problems?
PICYT, Av. Venustiano Carranza 2425-A,
San Luis Potosí 78210, México
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