[Pw_forum] QE 4.0.2: configure error

[Sangamesh B]

Hi,

  Its giving segmentation fault for the given examples.

The used example is example01:

output of Serial Run:

# ./run_example | tee run_serial_out

/opt/espresso-4.0.2/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: /opt/espresso-4.0.2/bin
  pseudo directory:      /opt/espresso-4.0.2/pseudo
  temporary directory:   /root/qstemp
  checking that needed directories and files exist... done

  running pw.x as:  /opt/espresso-4.0.2/bin/pw.x
  running bands.x as:  /opt/espresso-4.0.2/bin/bands.x

  cleaning /root/qstemp... done
  running the scf calculation for Si... done
  running the band-structure calculation for Si... done
  running the symmetry analysis for Si bands...

**** Segmentation fault!  Fault address: 0x2bd0

Fault address is 4183088 bytes below the first valid
mapping boundary, which is at 0x400000.

This may have been caused by a struct access through a null pointer.
./run_example: line 77: 10169 Aborted                 $BANDS_COMMAND
<si.bands.in >si.bands.out
 done
  cleaning /root/qstemp... done
  running the scf calculation for Al... done
  running the band-structure calculation for Al... done
  cleaning /root/qstemp... done
  running the scf calculation for Cu... done
  running the band-structure calculation for Cu... done
  running the symmetry analysis for Cu bands...

**** Segmentation fault!  Fault address: 0xa90

Fault address is 4191600 bytes below the first valid
mapping boundary, which is at 0x400000.

This may have been caused by a struct access through a null pointer.
./run_example: line 77: 10182 Aborted                 $BANDS_COMMAND
<cu.bands.in >cu.bands.out
 done
  cleaning /root/qstemp... done
  running the scf calculation for Ni... done
  running the band-structure calculation for Ni... done
  cleaning /root/qstemp... done
  running the scf calculation for Si... done
  running the band-structure calculation for Si... done
  cleaning /root/qstemp... done
  running the scf calculation for Al... done
  running the band-structure calculation for Al... done
  cleaning /root/qstemp... done
  running the scf calculation for Cu... done
  running the band-structure calculation for Cu... done
  cleaning /root/qstemp... done
  running the scf calculation for Ni... done
  running the band-structure calculation for Ni... done

/opt/espresso-4.0.2/examples/example01 : done


Output of parallel job with 4 mpi processes on a single node(dual core
dual processor)

/opt/espresso-4.0.2/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: /opt/espresso-4.0.2/bin
  pseudo directory:      /opt/espresso-4.0.2/pseudo
  temporary directory:   /root/qstemp
  checking that needed directories and files exist... done

  running pw.x as:  /opt/mpich2PS/bin/mpirun -machinefile /root/mach
-np 4  /opt/espresso-4.0.2/bin/pw.x
  running bands.x as:  /opt/mpich2PS/bin/mpirun -machinefile
/root/mach -np 4  /opt/espresso-4.0.2/bin/bands.x

  cleaning /root/qstemp... done
  running the scf calculation for Si...Error condition encountered
during test: exit status = 255
Aborting


Thanks,
Sangamesh
On Tue, Oct 21, 2008 at 4:05 PM, Paolo Giannozzi <giannozz at democritos.it> wrote:
> Sangamesh B wrote:
>> It got installed. Thanks for your support.
>>
>> Does QE-4.0.2 support make install?
>
> no, it doesn't. All executables are linked into to the bin/
> subdirectory.
>
> Paolo
> --
> Paolo Giannozzi, Democritos and University of Udine, Italy
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