[Pw_forum] PW and PHonon examples crashes in SUSE 11.1 with compiled with gfortran
Giuseppe Mattioli
giuseppe.mattioli at ism.cnr.it
Tue Dec 18 14:20:09 CET 2012
Dear Eitan
Please always sign your posts to this forum with your scientific affiliation. As (very) often explained
in this forum, this is a gfortran bug. Try to use a recent (i.e > 4.4) version to compile QE. It
should fix (almost) all of these iotk troubles.
HTH
Giuseppe
On Tuesday 18 December 2012 12:18:44 eitan eidelstein wrote:
> Hello,
> I am using:
> Linux admin 2.6.32.12-0.7-default #1 SMP 2010-05-20 11:14:20 +0200 x86_64
> x86_64 x86_64 GNU/Linux
> Linux version 2.6.32.12-0.7-default (geeko at buildhost) (gcc version 4.3.4
> [gcc-4_3-branch revision 152973] (SUSE Linux) ) #1 SMP 2010-05-20 11:14:20
> +0200
> SUSE Linux Enterprise Server 11 (x86_64)
> VERSION = 11
> PATCHLEVEL = 1
>
> downloaded the:
> espresso-5.0.2.tar.gz
>
> compilled with:
> Using built-in specs.
> Target: x86_64-suse-linux
> Configured with: ../configure --prefix=/usr --infodir=/usr/share/info
> --mandir=/usr/share/man --libdir=/usr/lib64 --libexecdir=/usr/lib64
> --enable-languages=c,c++,objc,fortran,obj-c++,java,ada
> --enable-checking=release --with-gxx-include-dir=/usr/include/c++/4.3
> --enable-ssp --disable-libssp
> --with-bugurl=http://bugs.opensuse.org/--with-pkgversion='SUSE Linux'
> --disable-libgcj --disable-libmudflap
> --with-slibdir=/lib64 --with-system-zlib --enable-__cxa_atexit
> --enable-libstdcxx-allocator=new --disable-libstdcxx-pch
> --enable-version-specific-runtime-libs --program-suffix=-4.3
> --enable-linux-futex --without-system-libunwind --with-cpu=generic
> --build=x86_64-suse-linux
> Thread model: posix
> gcc version 4.3.4 [gcc-4_3-branch revision 152973] (SUSE Linux)
>
> configure output:attached
> do the next warning is problematic???
> configure: WARNING: using cross tools not prefixed with host triplet
>
> make all output:attached
>
> when running example01 in PW/:
> eeitan at admin ~/QE/espresso-5.0.2/PW/examples/example01> run_example
>
> /home/eeitan/QE/espresso-5.0.2/PW/examples/example01 : starting
>
> This example shows how to use pw.x to calculate the total energy and
> the band structure of four simple systems: Si, Al, Cu, Ni.
>
> executables directory: /home/eeitan/QE/espresso-5.0.2/bin
> pseudo directory: /home/eeitan/QE/espresso-5.0.2/pseudo
> temporary directory: /home/eeitan/tmp
> checking that needed directories and files exist... done
>
> running pw.x as: /home/eeitan/QE/espresso-5.0.2/bin/pw.x -nband 1 -ntg
> 1
>
> cleaning /home/eeitan/tmp... done
> running the scf calculation for Si... done
> running the band-structure calculation for
> Si...######################################################################
> ################################################## # 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
> ###########################################################################
> ############################################# application called
> MPI_Abort(MPI_COMM_WORLD, 1) - process 0
> Error condition encountered during test: exit status = 1
> Aborting
>
> or running example01 in PHonon/:
>
> eeitan at admin ~/QE/espresso-5.0.2/PHonon/examples/example01> run_example
>
> /home/eeitan/QE/espresso-5.0.2/PHonon/examples/example01 : starting
>
> This example shows how to use pw.x and ph.x to calculate phonon
> frequencies at Gamma and X for Si and C in the diamond structure and
> for fcc-Ni.
>
> executables directory: /home/eeitan/QE/espresso-5.0.2/bin
> pseudo directory: /home/eeitan/QE/espresso-5.0.2/pseudo
> temporary directory: /home/eeitan/tmp
>
> checking that needed directories and files exist... done
>
> running pw.x as: /home/eeitan/QE/espresso-5.0.2/bin/pw.x -nband 1 -ntg
> 1
> running ph.x as: /home/eeitan/QE/espresso-5.0.2/bin/ph.x -nband 1 -ntg
> 1
>
> cleaning /home/eeitan/tmp... done
> running the scf calculation for Si... done
> running the phonon calculation at Gamma for
> Si...######################################################################
> ################################################## # 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
> ###########################################################################
> ############################################# application called
> MPI_Abort(MPI_COMM_WORLD, 1) - process 0
> done
> running the phonon calculation at X for
> Si...######################################################################
> ################################################## # 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
> ###########################################################################
> ############################################# application called
> MPI_Abort(MPI_COMM_WORLD, 1) - process 0
> Error condition encountered during test: exit status = 1
> Aborting
>
> thank in advance,
> eitan.
--
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Giuseppe Mattioli
CNR - ISTITUTO DI STRUTTURA DELLA MATERIA
v. Salaria Km 29,300 - C.P. 10
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Tel + 39 06 90672836 - Fax +39 06 90672316
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