If wf_collect=.true. is not used in the pw.x run,
run pw2qmcpack with the same paralle setup (procs and kpools) as the last scf/nscf run.
The write_psir=.true. or expand_kp=.true. options have not been tested with this parallel conveter.
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@7102 e5b18d87-469d-4833-9cc0-8cdfa06e9491
Tested only for successful HDF5 usage and single node, bccH ae pw
conversion. Larger test required before production use.
In addition to the usual interface changes, this QE release included
significant updates to the autoconf based configuration. I added
macros for HDF5 detection and setup in the same
style. install/configure is now properly regenerated by autoconf from
configure.ac with our changes. Previously we edited the generated
files.
Generating this patch was not time efficient. Update process is fragile.
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6684 e5b18d87-469d-4833-9cc0-8cdfa06e9491
Paul Kent