[CPMD-list] MD job

mano mano berrezmanou at yahoo.fr
Wed Mar 12 14:48:05 CET 2008


 Dear CPMD users,
  While runing an MD job with CPMD, on the H2 system (I took it  from the CPMD tutorial), it stopped after few iterations, and give this notification:
   
  PGFIO-F-201/OPEN/unit=4/illegal value for specifier
  File name=. / TRAJECTORY
  In source file . /fileopen.f, at line number 20.
   
  I guess, that it is the same problem as with "Charles" ,but I want to be sure.
  Thank you much, and good luck
  Djamila

       
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