[Pw_forum] problems with the new Martins-Troullier O pseudo

[giuseppe.mattioli at mlib.ism.cnr.it]

Dear all

My 4.3.2 QE version (but I tried also with older ones) crashes when  
used with the new O.pbe-mt.UPF pseudopotential. No problems with other  
ones, so the error  should depend on the new PP file.
The output stops at

      Program PWSCF v.4.3.2      starts on  4Sep2011 at 13:25:53

      This program is part of the open-source Quantum ESPRESSO suite
      for quantum simulation of materials; please cite
          "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
           URL http://www.quantum-espresso.org",
      in publications or presentations arising from this work. More details at
      http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO

      Parallel version (MPI), running on     4 processors
      R & G space division:  proc/pool =    4

      Current dimensions of program PWSCF are:
      Max number of different atomic species (ntypx) = 10
      Max number of k-points (npk) =  40000
      Max angular momentum in pseudopotentials (lmaxx) =  3
      Waiting for input...
      Reading input from stdin
rank 0 in job 17  debian_53881   caused collective abort of all ranks
   exit status of rank 0: killed by signal 9

and my nohup.out file contains

##################################################################
# FROM IOTK LIBRARY, VERSION 1.2.0
# UNRECOVERABLE ERROR (ierr=1)
# ERROR IN: iotk_scan_attr (iotk_attr+CHARACTER1_0.f90:207)
# CVS Revision: 1.21
#################################################################
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0

What's wrong?

Yours

Giuseppe


Giuseppe Mattioli
ISM-CNR
Italy