[Wien] WIEN2k 09.2 installation difficulties

[Chubaci]

Hallo,
We need some help.
We can’t manage to get WIEN2k version 09.2 working. 
We downloaded the last version of the program (09.2) and 
compiled it with ifort version 11.1. 
The compilation went out without any problem, none that
would appear on logs, however, trying to run lapw1 on any job or even
the benchmark tests results in the following message:

--- Begin error message ---
forrtl: severe (168): Program Exception - illegal instruction
Image              PC                Routine            Line
Source
lapw1c             00000000004BAA2D  Unknown               Unknown  Unknown
lapw1c             000000000047191B  Unknown               Unknown  Unknown
lapw1c             000000000042B010  hamilt_                   376
hamilt_tmp_.F
lapw1c             000000000041B294  calkpt_                   156
calkpt_tmp_.F
lapw1c             000000000043DB3C  MAIN__                     60  lapw1_tmp_.F
lapw1c             000000000041221C  Unknown               Unknown  Unknown
libc.so.6          00002AC2B6665526  Unknown               Unknown  Unknown
lapw1c             0000000000412119  Unknown               Unknown  Unknown
--- End error message ---

It also creates the file 'lapw1.error' which contains only 'Error in
LAPW1'.

The options to compile the program were the following:

System: Option K (Linux --- Intel ifort 11.x compiler + mkl)
Compiler options:
 All recommended settings but R_LIB, where I used the following flags
(as recommended by Intel's site):
       /opt/intel/ifort/11.1/069/mkl/lib/em64t/libmkl_solver_lp64.a
       -Wl,--start-group
       /opt/intel/ifort/11.1/069/mkl/lib/em64t/libmkl_intel_lp64.a
       /opt/intel/ifort/11.1/069/mkl/lib/em64t/libmkl_intel_thread.a
       /opt/intel/ifort/11.1/069/mkl/lib/em64t/libmkl_core.a -Wl,--end-group
       -openmp -lpthread -lguide
Dimension parameters:
 I've tried a bunch of settings but none seemed to change results,
the last one was:
       NMATMAX=20000
       NUME=2000

We’ve also tried gcc-fortran compiler with gotolib2 library (in fact this
was our first try), nevertheless we got the same problems except for the
fact that there was no Program Exception message, only the 'lapw1.error'
file and the process would never end. The compilation was also clean of
errors.

We are working on an Intel Core2 Quad  Q8200 2.33GHz, 4Gb RAM. Slackware13
Linux 64bit, kernel 2.6.29.6, able of running and compiling 32bit
binaries as well (multilib enabled). Well, we don’t know if this is
relevant but these are the versions of my libraries: gcc-4.3.3 and
glibc-2.9.

We really hope anyone could help, it would really be appreciated. Thanks
in advance.

best regards,
jose fernando chubaci 
Caio A. Prado


*************************************************************************
Jose Fernando Diniz Chubaci  < chubaci at if.usp.br>
Laboratorio de Cristais Ionicos, Filmes Finos e Datacao - LACIFID
Departamento de Fisica Nuclear - DFN
Instituto de Física, Universidade de Sao Paulo - IF USP 
Caixa Postal: 66.318
05315-970 - Sao Paulo, SP, Brasil
Fone:  +55-11-3091-6990; Fax: +55-11-3031-2742	
**************************************************************************

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