[Pw_forum] Installation ERROR

raghuvir at bcpindia.org raghuvir at bcpindia.org
Tue Aug 30 20:06:24 CEST 2011


Hi

I have recently tried to install quantum espresso onto rocks cluster 
5.4.3 (x86_64)

using root

I tried the installation in /share/apps/espresso-4.5.2
when executed ./configure --prefix=/share/apps/espresso-4.5.2 was 
successful
I found that the configuration searched for some files in 
/opt/intel/mkl/ (this is not present on the cluster)

for the libraries it used default ones provided with QE

i succeeded with make all

then

ls bin/*x listed all the files in the bin directory

so i executed: cd tests  followed by ./check-pw.x.j (getting executed 
only by root not by user; IS THIS CORRECT)

I am receiving the following error:

Checking atom...passed
Checking atom-lsda...passed
Checking atom-pbe...passed
Checking atom-sigmapbe...passed
Checking berry...passed
Checking berry, step 2 
...########################################################################################################################
# FROM IOTK LIBRARY, VERSION 1.2.0
# UNRECOVERABLE ERROR (ierr=1)
# ERROR IN: iotk_scan_end (iotk_scan.f90:241)
# CVS Revision: 1.23
# foundl
# ERROR IN: iotk_close_read (iotk_files.f90:746)
# CVS Revision: 1.20
########################################################################################################################
--------------------------------------------------------------------------
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.
--------------------------------------------------------------------------
FAILED with error condition!
Input: berry.in2, Output: berry.out2, Reference: berry.ref2
Aborting


Please help me

Thanks

Raghuvir







More information about the users mailing list