On Tue, 2009-07-07 at 12:06 +0100, Dimpy Sharma wrote: > > Hi Quantum espresso users, > > I tried to calculate stress for a sytem by performing a scf > calculation, presently I am running two diffrenet calculations by > varying the lattice paarmeter of the system, howvever, I have found > that at cell dimension either smaller or greater than the optimum > lattice parameter, I cannot find the output, instead it is showing > rm_l_6_1007: (61.828125) net_send: could not write to fd=5, errno = 32
looks like an error from your MPI library. something must have gone wrong. axel. > can any body please give me a possible reason for the error, > > also I want to ask one more thing, will there be any difference in my > output result, if instead of atomic coordinates, I use fractional > coordinates? > > Thanks > > Dimpy > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -- ======================================================================= Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu Center for Molecular Modeling -- University of Pennsylvania Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323 tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425 ======================================================================= If you make something idiot-proof, the universe creates a better idiot.
