Erros for yambo-3.2.3-rev.11 with iotk 1.2.0

[hplan]

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' :

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!

Pseudopotentials i used were generated by OPIUM in NCPP format.

Thanks,

Haiping

[andrea marini]

The p2y interface has been LARGELY updated in the latest revision (rev. 15). Can you update your source and test that it actually works.

THX!!!!

Andrea

[hplan]

Thank you, Andrea.
It really works now.

Best,
Haiping