Settled offline. Just to record the solution. The compilation is fine but there is a pre-installed pw.x from the package manager. When running, this user is pulling /usr/bin/pw.x instead of the newly built one. Then the solution is just remove the pre-installed QE in the package manager.
=================== Ye Luo, Ph.D. Leadership Computing Facility Argonne National Laboratory 2018-08-07 21:19 GMT-05:00 Will DeBenedetti <[email protected]>: > Maybe take this offline? > > Will DeBenedetti > Cornell University > > Sent from my iPhone > > On Aug 7, 2018, at 22:11, Aziz Fall <[email protected]> wrote: > > yeah both my mpiifort and mpif90 are from intel. where do I find the > psxevars.sh file > > On Tue, Aug 7, 2018 at 9:57 PM, Ye Luo <[email protected]> wrote: > >> /usr/lib/libblacsCinit-openmpi.so.1 seems belong to libblacs-openmpi1 >> package in ubuntu. >> This indicates you have openmpi and blacs installed from the package >> manager. >> >> Are you sure your parallel studio is the cluster edition and you have >> intel mpi? >> Did you source psxevars.sh form parallel studio? >> Type which mpiifort and mpif90 and see if they exist and are they from >> intel parallel studio instead of openmpi? >> >> Ye >> >> _______________________________________________ >> users mailing list >> [email protected] >> https://lists.quantum-espresso.org/mailman/listinfo/users >> > > _______________________________________________ > users mailing list > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users > > > _______________________________________________ > users mailing list > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users >
_______________________________________________ users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
