[Wien] Error in LAPW1 'Unknow' - SIGSEGV, contact developers

[Laurence Marks]

Unfortunately tracking down problems with mpi is not very easy. I suggest
that you check some of the tests that come with you mpi installation to
verify that they work, and there may be some standard tests in scalapck as
well. It is most likely that there is something wrong in libraries, how mpi
is called in parallel_options or similar. The parallel version of lapw0 is
simpler, does lapw0 -p work (with an appropriate .machines file)?
On Jan 4, 2011 2:07 AM, "Markus Kaukonen" <markus.kaukonen at iki.fi> wrote:
> Dear Wien2K developers,
>
> I managed to get in file uplapw1.error
> ---begin file----
> ** Error in Parallel LAPW1
> ** LAPW1 STOPPED at Tue Jan 4 09:50:31 EET 2011
> ** check ERROR FILES!
> Error in LAPW1
> 'Unknow' - SIGSEGV, contact developers
> ---end file----
>
> and in gra111.scf1up_1
> ---begin file----
> ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM C 1
> :e__0001: OVERALL ENERGY PARAMETER IS 0.3000
> OVERALL BASIS SET ON ATOM IS LAPW
> :E0_0001: E( 0)= -0.7800 E(BOTTOM)= -2.976 E(TOP)= -200.000
> APW+lo
> :E0_0001: E( 0)= 0.3000
> LOCAL ORBITAL
> :E1_0001: E( 1)= 0.3000
> APW+lo
>
> ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM C 1
> :e__0002: OVERALL ENERGY PARAMETER IS 0.3000
> OVERALL BASIS SET ON ATOM IS LAPW
> :E0_0002: E( 0)= -0.7800 E(BOTTOM)= -2.976 E(TOP)= -200.000
> APW+lo
> :E0_0002: E( 0)= 0.3000
> LOCAL ORBITAL
> :E1_0002: E( 1)= 0.3000
> APW+lo
>
> MPI-parallel calculation using 5 processors
> Scalapack processors array (row,col): 5 1
> ---end file----
>
> The serial version runs fine with identical input (graphene with 2
> atom unit cell).
> Parallel and serial version are compiled with portland compilers
> (pgi/10.2-0) and acml libraries were used for BLAS and LAPACK.
> for parallel version fftw-2.1.5 scalapack and blacs were compiled by
pgi/10.2-0
>
> Question: is there an easy fix or should one try another compiler?
>
> terveisin, Markus
>
>
>
> --
> --www=http://www.iki.fi/markus.kaukonen
> --Markus.Kaukonen at iki.fi
> --office: N102 Nano building FIN-02015 TKK
> --home: Viinirinne 3 F 12, 02630 Espoo, FIN
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> --Suomessa. (Paimio 1998) ---
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