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

[Markus Kaukonen]

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
--tel: h 045-1242068, w 4518694, 050-5112785
--Rikos ei kannata, eika maatalous
--Suomessa. (Paimio 1998) ---