On May 22, 2012, at 19:38 , Jack Deslippe wrote: > discrepancy in pressure detected > Reference: -14.46, You got: 94.93
oops ... there is a serious error in the calculation of the stress in the Gamma-only case, in parallel. I don't think it is directly related to Scalapack, though P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
