Eliashberg function for GaN example

[Arnie]

Dear All,
I would like calculate a2F function for GaN example. I modified the epw.in file in the following way:

Code: Select all

  phonselfen  = .true.
  a2f         = .true.

During the calculations I received the following error:

Code: Select all

     Calculating kmap and kgmap
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD 
with errorcode 1.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
--------------------------------------------------------------------------
########################################################################################################################
# WARNING: there are pending errors
# PENDING ERROR (ierr=1)
# ERROR IN: iotk_open_read (iotk_files.f90:611)
# CVS Revision: 1.20 
# unit
file=/home/apd/QE/espresso/EPW/examples/gan/phonons/save/gan.phsave/patterns.1.xml
binary=F
iostat=2
# FROM IOTK LIBRARY, VERSION 1.2.0
# UNRECOVERABLE ERROR (ierr=2)
# ERROR IN: iotk_getline (iotk_scan.f90:947)
# CVS Revision: 1.23 
# 
iostat=-1
# ERROR IN: iotk_scan_tag (iotk_scan.f90:593)
# CVS Revision: 1.23 
# ERROR IN: iotk_scan (iotk_scan.f90:821)
# CVS Revision: 1.23 
# ERROR IN: iotk_scan_begin (iotk_scan.f90:98)
# CVS Revision: 1.23 
########################################################################################################################
     Progress  kmap: ########################################
     Progress kgmap: ########################################
     kmaps        :    110.65s CPU    110.85s WALL (       1 calls)
     Symmetries of bravais lattice:  24
     Symmetries of crystal:          12

Any idea what is wrong?

[eliephys78]

Hello,

I am actually having the same problem whilst calculating the electron phonon coupling:

-------------------------------------------------------------------
WANNIER : 432.20s CPU 439.60s WALL ( 1 calls)
-------------------------------------------------------------------

Dipole matrix elements calculated


Calculating kmap and kgmap
Progress kmap: ########################################
Progress kgmap: ########################################
kmaps : 335.56s CPU 335.70s WALL ( 1 calls)
Symmetries of bravais lattice: 24
Symmetries of crystal: 12

Have you figure out what was going on?

Regards

[Jelena]

I know it has been some time since this thread was started but I have observation on this subject.
I had this exact problem when I tried parallel execution -np6 -npool6 .
Same error as Arnie reported
# ERROR IN: iotk_open_read (iotk_files.f90:611)
# CVS Revision: 1.20
# unit

on the same file: ../patterns.1.xml
I've checked that patterns.xml file and it was just where it should be and looked ok (well, no obvious errors at least) when opened.
So then I tried the same inputs with no mpi run and works great.

Just mine observation, bit late.

[sponce]

Hello,

In theory this error come from a wrong MPI compilation of QE.

You might try to do a
- check that you have all mpi modules correctly loaded

make distclean
./configure

Then check that the configure is correct and that MPI is correctly detected.

Then,

make pwall
make ph

cd EPW/src
make
make

[tswang]

Hi,

I found the same problem with the same error message. The reason in my case is that I forgot to put pp.py and pp.in into the folder.

Because pp.py doesn't have any output, my script didn't give me any error message until the EPW step.

Hope you find this helpful.

[sponce]

Dear tswang,

Thank you for the feedback on this !

Best,

Samuel