The ABINIT Users Mailing List ( CLOSED )

[matthieu verstraete <matthieu.jean.verstraete@gmail.com>]

This is probably a known bug in the RF part, please try a recent
version (5.7.3) if possible, or you can just change the following line
in loper3.F90:

allocate(gh1_rbz(...))

replace by:

allocate(gh1_rbz(1,1,1,1))

To see if this is the bug I am thinking of.

I do realize you said the package was managed by the sys admins, but
there is no other immediate solution.

Matthieu

On Tue, Mar 24, 2009 at 3:49 PM, Vincent Chevrier
<vincent.chevrier@dahn.phys.dal.ca> wrote:
> Hi all,
>
> I'm trying to run a response function calculations with 5.6.3 but I am
> having problems. This is on a cluster for which I do not have
> administrator privileges. I did not compile the binaries.
>
> I used to be able to run response function calculations without problem
> with 5.4.4 (until it time-bombed). I am wondering if anyone has any
> suggestions for the system administrator (since he nor I have much
> experience compiling abinit). Open MPI is used for parallelization.
>
> Any help is greatly appreciated.
>
> Thanks,
> Vincent Chevrier
>
> Here is the problem:
>
> If I run the trf2_1.in file from Tutorial #2 on response functions, it
> goes through the WFK generation (DATASET 1) without problem, then dies in
> DATASET 2 (RF). The job is submitted to a grid engine with abinip as the
> executable but it is only on one node. The last lines of the log file are:
>
> ----------------- log file tail --------------------------
> -P-0000  leave_test : synchronization done...
>  newkpt: loop on k-points done in parallel
>  pareigocc : MPI_ALLREDUCE
>
>
>     iter   2DEtotal(Ha)        deltaE(Ha) residm    vres2
>
>  getcut: wavevector=  0.0000  0.0000  0.0000  ngfft=  12  12  12
>         ecut(hartree)=      3.000   => boxcut(ratio)=   2.05142
>  scfcv3, nstep=           25
> [cl-0-29:15595] *** Process received signal ***
> [cl-0-29:15595] Signal: Segmentation fault (11)
> [cl-0-29:15595] Signal code: Address not mapped (1)
> [cl-0-29:15595] Failing at address: 0x954
> [cl-0-29:15595] *** End of error message ***
> mpirun noticed that job rank 0 with PID 15595 on node cl029.dal.acenet.ca
> exited on signal 11 (Segmentation fault).
> ----------------- end of log file tail ---------------------
>
> If I do a back trace using gdb of the dumped core.15595 file I get the
> following:
>
>
> #0  0x00000000006463a3 in vtorho3_ (atindx=(), atindx1=(), cg=(), cgq=(),
> cg1=(), cplex=1, cprj=(), cprjq=(), cpus=0, dbl_nnsclo=0, gh1_rbz=(),
> densymop_rf=Invalid F77 type code 3 in symbol table.
> ) at vtorho3.F90:634
> #1  0x0000000000639700 in scfcv3_ (atindx=(), atindx1=(), blkflg=(),
> cg=(), cgq=(), cg1=(), cplex=1, cprj=(), cprjq=(), cpus=0, dimpaw1=0,
> gh1_rbz=(), densymop_rf=Invalid F77 type code 3 in symbol table.
> )
>    at scfcv3.F90:702
> #2  0x0000000000559b17 in loper3_ (amass=(), atindx=(), atindx1=(),
> blkflg=(), codvsn='5.6.3 ', cpui=0, cpus=0, dimcprj=(), doccde=(),
> ddkfil=(0, 0, 0), dtfil=Invalid F77 type code 3 in symbol table.
> )
>    at loper3.F90:1213
> #3  0x000000000051d483 in respfn_ (codvsn='5.6.3 ', cpui=0, dtfil=Invalid
> F77 type code 3 in symbol table.
> ) at respfn.F90:1273
> #4  0x0000000000441db1 in driver_ (codvsn='5.6.3 ', cpui=0, dtfil=Invalid
> F77 type code 3 in symbol table.
> ) at driver.F90:841
> #5  0x00000000004398f9 in MAIN_ ()
> #6  0x0000000000436d00 in main ()
>
>
>



-- 
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Dr. Matthieu Verstraete

European Theoretical Spectroscopy Facility (ETSF)
Dpto. Fisica de Materiales,
U. del Pais Vasco,
Centro Joxe Mari Korta, Av. de Tolosa, 72,   Phone: +34-943018393
E-20018 Donostia-San Sebastian, Spain        Fax  : +34-943018390

Mail : matthieu.jean.verstraete@gmail.com
http://www-users.york.ac.uk/~mjv500