Dear Xiaoming,
ldau-308 works in parallel on some of my systems, but it is compiled with
gfortran (+mpich). Under intel the serial version goes most often OK, the
version compiled with openmpi fails (at some memory allocations(?), see
the siesta mailing list: in ldau.F) even if it runs on single processor.
regards,
Tomasz Kostyrko
On Wed, 18 Mar 2015, Xiaoming Wang wrote:
Dear Siesta users and developers,
Is the LDA+U version only for serial execution? Anyone has successfully done
parallel calculations?
Best,
Xiaoming Wang
Postdoc
Rutgers
