Either you are exceeding the maximum available memory, or there is something very wrong in the way you compiled the code (for instance: hardware not compatible with libraries)
Paolo On Mon, 2015-03-23 at 09:49 -0300, Alexander Martins wrote: > Hi Paolo, > > > I run interactively and I have got the folloeing error message: > > > /../mpich-3.1.4/local/bin/mpirun -np > 4 /Cluster/Science/espresso-5.1.2/bin/pw.x < s8.in > s8.out > forrtl: severe (174): SIGSEGV, segmentation fault occurred > Image PC Routine Line > Source > libmkl_mc3.so 00002AAAB0A312DF Unknown Unknown > Unknown > forrtl: severe (174): SIGSEGV, segmentation fault occurred > Image PC Routine Line > Source > libmkl_mc3.so 00002AAAB09F02DF Unknown > > > The s8.output is: > > Program PWSCF v.5.1.2 starts on 23Mar2015 at 9:33:16 > > This program is part of the open-source Quantum ESPRESSO suite > for quantum simulation of materials; please cite > "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 > (2009); > URL http://www.quantum-espresso.org";, > in publications or presentations arising from this work. More > details at > http://www.quantum-espresso.org/quote > > Parallel version (MPI), running on 4 processors > R & G space division: proc/nbgrp/npool/nimage = 4 > Waiting for input... > Reading input from standard input > > Current dimensions of program PWSCF are: > Max number of different atomic species (ntypx) = 10 > Max number of k-points (npk) = 40000 > Max angular momentum in pseudopotentials (lmaxx) = 3 > > ------------------------------------- > Parameters for Dispersion Correction: > ------------------------------------- > atom VdW radius C_6 > > S 3.180 193.230 > > Subspace diagonalization in iterative solution of the eigenvalue > problem: > a serial algorithm will be used > > > =================================================================================== > = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES > = PID 31568 RUNNING AT dirac > = EXIT CODE: 174 > = CLEANING UP REMAINING PROCESSES > = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES > =================================================================================== > > > I google libmkl_mc3.so + segmentation fault occurred but only a few > results are obtained, none with quantum espresso. Any sugestions? > > > Thanks, > > > Alexander. > > > > 2015-03-20 11:12 GMT-03:00 Paolo Giannozzi <[email protected]>: > On Thu, 2015-03-19 at 12:01 -0300, Alexander Martins wrote: > > > mpirun -np 24 /Cluster/Science/espresso-5.1.2/bin/pw.x < > $INP > > > $PBS_JOBNAME.out > > do not redirect to output, or run interactively from a > terminal, > and look what comes out. You may want to verify that variable > $INP > points to something > > > I have compiled with ifort+MKL and external mpich and > fftw3 > > libraries. The make.sys is attached. > > it is exceeedingly unlikely that what you describe is a > problem > of the code. > > Paolo > > -- > Paolo Giannozzi, Dept. Chemistry&Physics&Environment, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
