metal relaxation fails

[davionknight]

When I was trying to relax a Cu unit cell,
I got following error message after first ionic step:
/* LAPACK: Routine ZPOTRF failed! 6 3 1 */

More detail information can be found in job record file:
/*
MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
with errorcode 1.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.

mpirun has exited due to process rank 0 with PID 47386 on
node slacker exiting improperly. There are two reasons this
could occur:

1. this process did not call "init" before exiting, but others in
the job did. This can cause a job to hang indefinitely while it waits
for all processes to call "init". By rule, if one process calls "init",
then ALL processes must call "init" prior to termination.

2. this process called "init", but exited without calling "finalize".
By rule, all processes that call "init" MUST call "finalize" prior to
exiting or it will be considered an "abnormal termination"

This may have caused other processes in the application to be
terminated by signals sent by mpirun (as reported here).
*/

I am not sure if the new vasp still has problem for metal or it is a
compilation issue. Could anyone help me out?

Thx!

Davion
<span class='smallblacktext'>[ Edited ]</span>

[davionknight]

It's weird if the calculation finishes at first ionic step, no error will be given

[admin]

Cf. another threads on "ZPOTRF failed" e.g.:
http://cms.mpi.univie.ac.at/vasp-forum/ ... .php?4.953