data-file.xml cannot be read that way. If you want to read data, you have to use or modify the various codes in PP/src/
Paolo ________________________________ From: [email protected] <[email protected]> on behalf of Robert TETOT <[email protected]> Sent: Tuesday, March 24, 2015 18:44 To: [email protected] Subject: [Pw_forum] error from IOTK Dear all, I am a new user of Quantum espresso and I got an error when I want to read the data file with the command: iotk.x < data-file.xlm The error message is the following: ########################################################## # FROM IOTK LIBRARY, VERSION 1.2.0 # UNRECOVERABLE ERROR (ierr=1) # ERROR IN: iotk_delete_attr (iotk_misc.f90:1159) # CVS Revision: 1.39 ######################################################### *** The MPI_Comm_f2c() function was called before MPI_INIT was invoked. *** This is disallowed by the MPI standard. *** Your MPI job will now abort. ========================== The first 5 lines of the data file are: ========================= <?xml version="1.0"?> <?iotk version="1.2.0"?> <?iotk file_version="1.0"?> <?iotk binary="F"?> <?iotk qe_syntax="F"?> Can anybody help me ? Thank you in advance. Best regards Robert ******************** Robert Tétot ICMMO(SP2M) Univ Paris-Sud Bat 415 Orsay Cedex- France email: [email protected] ********************
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
