Dear Prof. Giuseppe
> try disk_io='high': the calculation should be slower but it also
should use less memory. Remember to force some soft exit (like
max_seconds=40000, or something suitable), if you want to properly restart the
calculation.
i tried disk_io='high' and
max_seconds=40000 with the maximum of ressources as can, i fix ulimit -s
unlimited to use all available RAM.
i have the following error:
=========================================================
forrtl: error (78): process killed (SIGTERM)
Image PC Routine
Line Source
libc.so.6 0000003AD8ADC238 Unknown
Unknown Unknown
libopen-pal.so.0 00007F6C6FEEB4EC Unknown Unknown
Unknown
libopen-pal.so.0 00007F6C6FEE8229 Unknown Unknown
Unknown
libopen-pal.so.0 00007F6C6FEDAFDC Unknown Unknown
Unknown
libmpi.so.0 00007F6C7043BDB4 Unknown
Unknown Unknown
libmpi.so.0 00007F6C7048A70E Unknown
Unknown Unknown
libmpi.so.0 00007F6C70494F38 Unknown
Unknown Unknown
libmpi.so.0 00007F6C7048AAAF Unknown
Unknown Unknown
libmpi.so.0 00007F6C70455BAF Unknown
Unknown Unknown
libmpi_f77.so.0 00007F6C7085FD03 Unknown Unknown
Unknown
pw.x 0000000000733C91 mp_mp_mp_barrier_
1812 mp.f90
pw.x 00000000006EAAA0 fft_base_mp_cgath
609 fft_base.f90
pw.x 0000000000468841 exx_mp_exxinit_
909 exx.f90
pw.x 0000000000446443 electrons_
552 electrons.f90
pw.x 0000000000441533 MAIN__
101 pwscf.f90
pw.x 000000000044127C Unknown
Unknown Unknown
libc.so.6 0000003AD8A1ECDD Unknown
Unknown Unknown
pw.x 0000000000441179 Unknown
Unknown Unknown
mpirun: clean termination accomplished
=========================================================
> The EXX routines have been extensively modified in QE 5.1. This often implies
> that the calculations a) are faster; b) use less resources.
to move to the new version QE 5.1, I must wait a while for administrative
reasons.
taoufik
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