There isn't much that can be done, apart going into the code and trying to figure out where (and maybe why) the problem arises (presumably, in Modules/read_upf_v2.f90). If the executable that works on your local machine is portable to the HPC, try to execute it. If it also fails, it may point to something strange with the I/O system of the HPC. Note that pseudopotential files are read in parallel by all processors.
Paolo On Feb 16, 2013, at 19:31 , Ben Palmer wrote: > Hi Paolo/Everyone, > > The 5.02 version has been downloaded and compiled with ifort v13 > and gcc. When I run on my local computer, with QE 5.0.2 compiled > with gcc, it runs fine. When I run on our HPC, either the ifortv13 > or gcc, there is an IOTK error. > > I've attached my local in/out files, the bluebear (our HPC) input > and output files (only difference in input file are the > directories) and the moab error files (one for ifort v13 and one > for gcc). > > There are some unneccessary sections in my input files, but it runs > fine with 2 processors on my computer, but not on the hpc. We've > also tried it with 1, 2 or 16 cores and still the same IOTK error. > > All the best, > > Ben > >> On Feb 11, 2013, at 18:16 , Ben Palmer wrote: >> >>> I'm having a few IOTK errors with PWscf from the 5.0.1 suite on our >>> University supercomputer, and have read that the probable cause >>> is the >>> intel compiler. >> I have never had any iotk problem with ifort, while I have had and >> seen >> many with gfortran. The only case of trouble I am aware of, is the >> one >> mentioned in the user guide with ifort v.12.0.0, which disappeared in >> subsequent versions. >> >> P. >> --- >> Paolo Giannozzi, Dept of Chemistry&Physics&Environment, >> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy >> Phone +39-0432-558216, fax +39-0432-558222 >> >> >> >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum > > <local.in><local.out><bluebear.in><bluebear.out><job_gcc.o10718.txt><j > ob_ifort13.o9872.txt>_______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
