Dear Prof. Giannozzi, I tried to path my 5.0.2 version, but it still doesn't work for me.
First, to follow the method mentioned in general user_guide, I test "make plumed", (make plumed unpacks PLUMED, patches several routines in PW/, CPV/ and clib/, recompiles PWscf and CP with PLUMED support). Error repeats. Second, I search the ?di?? ?le for 5.0.2 version on http://www.qe-forge.org. But I couldn't find a copy. Third, I compile my 5.0.2 version with different libraries (BLAS, LAPACK, and FFTW) on PC and cluster. Error repeats. Is there anything I overlook? Where can I download the patch files? Could you send me a copy patch of 5.0.2 version or the its URL link? You kind help is appreciated. Thanks in advance, Dong -- Juncai Dong PhD. Candidate Beijing Synchrotron Radiation Facility (BSRF) Institute of High Energy Physics Chinese Academy of Sciences China > -----????----- > ???: "Paolo Giannozzi" <giannozz at democritos.it> > ????: 2013?1?7? ??? > ???: "PWSCF Forum" <pw_forum at pwscf.org> > ??: > ??: Re: [Pw_forum] cpmd cannot reach the electronic ground state > > > On Jan 6, 2013, at 9:52 , DONG Juncai wrote: > > > I have carried out cpmd calculation with cp.x on a Ge diamond- > > structured 2x1x1 supercell. However, it seems like that it is > > impossible to reach the electronic ground state. > > it works for me. You need to apply the patch to the 5.0.2 version, > though.
