[Pw_forum] PW and PHonon examples crashes in SUSE 11.1 with compiled with gfortran

[Paolo Giannozzi]

gfortran bug

P.

On Tue, 2012-12-18 at 06:18 -0500, 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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-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy