Erros for yambo-3.2.3-rev.11 with iotk 1.2.0
Posted: Sat Nov 13, 2010 4:49 pm
Dear Developers ,
I compiled qe4.2.1 and yambo-3.2.3/yambo-3.2.1 by pgi compilor. There is no erro occurs when i execute p2y in 3.2.1 version.
While 3.2.3 gives out error information as follows, when i run it as 'p2y -N -S' :
Pseudopotentials i used were generated by OPIUM in NCPP format.
Thanks,
Haiping
I compiled qe4.2.1 and yambo-3.2.3/yambo-3.2.1 by pgi compilor. There is no erro occurs when i execute p2y in 3.2.1 version.
While 3.2.3 gives out error information as follows, when i run it as 'p2y -N -S' :
Code: Select all
__ __ ______ ____ _____
/\ \ /\ \\ _ \ /"\_/`\/\ _`\ /\ __`\
\ `\`\\/"/ \ \L\ \/\ \ \ \L\ \ \ \/\ \
`\ `\ /" \ \ __ \ \ \__\ \ \ _ <" \ \ \ \
`\ \ \ \ \ \/\ \ \ \_/\ \ \ \L\ \ \ \_\ \
\ \_\ \ \_\ \_\ \_\\ \_\ \____/\ \_____\
\/_/ \/_/\/_/\/_/ \/_/\/___/ \/_____/
<---> [01] P(W) 2 Y(ambo) Ver. 4.0
<---> DBs path set to .
<---> Index file set to data-file.xml
<---> Header/K-points/Energies...done
<01s> Cell data...done
<02s> Atomic data...########################################################################################################################
# FROM IOTK LIBRARY, VERSION 1.2.0
# UNRECOVERABLE ERROR (ierr=1)
# ERROR IN: iotk_getline (iotk_scan.spp:834)
# CVS Revision: 1.23
iostat=-1
# ERROR IN: iotk_scan_tag (iotk_scan.spp:518)
# CVS Revision: 1.23
# ERROR IN: iotk_scan (iotk_scan.spp:712)
# CVS Revision: 1.23
# ERROR IN: iotk_scan_begin (iotk_scan.spp:94)
# CVS Revision: 1.23
########################################################################################################################
*** 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.
[cvrsvc03:26949] Abort before MPI_INIT completed successfully; not able to guarantee that all other processes were killed!Thanks,
Haiping