[Wien] problem running lapw1c WIEN2k_08.1 MKL10

[aurelio]

Hello,
I have compiled WIEN2k_08.1 using intel fortran compilers version 10 and MKL10 in a Linux SUSE Linux Enterprise Server 
10 (ia64). I have found several problems in runtime (just running lapw1c using the test_case) depending if I compile 
dynamically or statically and if I set OMP_NUM_THREADS or not. I will try to comment the cases:

1)dynamically linked with MKL10 without setting OMP_NUM_THREADS
R_LIBS:-L/opt/cesga/intel/intel10.0/ict/mkl/10.0.011/lib/64 -Wl,--start-group -lmkl_intel_lp64 -lmkl_intel_thread 
-lmkl_core -Wl,--end-group -lguide -lpthread
Here I get the following message

forrtl: severe (174): SIGSEGV, segmentation fault occurred

If I compile with the ifort options -C -traceback I am getting the following:

forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
ld-linux-ia64.so. 20000000000144D1 Unknown Unknown Unknown
libc.so.6.1 2000000001170B00 Unknown Unknown Unknown
libdl.so.2 2000000000F62010 Unknown Unknown Unknown
ld-linux-ia64.so. 200000000001BF10 Unknown Unknown Unknown
libdl.so.2 2000000000F626A0 Unknown Unknown Unknown
libdl.so.2 2000000000F61F00 Unknown Unknown Unknown
libmkl_intel_thre 2000000000867E80 Unknown Unknown Unknown
libmkl_intel_thre 200000000086E2B0 Unknown Unknown Unknown
libmkl_intel_lp64 2000000000308E70 Unknown Unknown Unknown
lapw1c 40000000000F26B0 hamilt_ 409 hamilt_tmp_.F
lapw1c 4000000000057A80 calkpt_ 154 calkpt_tmp_.F
lapw1c 400000000023B250 MAIN__ 52 lapw1_tmp_.F
lapw1c 4000000000004B10 Unknown Unknown Unknown
libc.so.6.1 2000000000F9BC20 Unknown Unknown Unknown
lapw1c 4000000000004940 Unknown Unknown Unknown

The line 409 in the hamilt_tmp_.F contains:
call vdsincos(j_end_1(ihelp),help1,help_sin,help_cos)

If I set OMP_NUM_THREADS=1 the program runs without a problem.

2)statically linked with MKL10
R_LIBS:-Wl,--start-group /opt/cesga/intel/intel10.0/ict/mkl/10.0.011/lib/64/libmkl_intel_lp64.a 
/opt/cesga/intel/intel10.0/ict/mkl/10.0.011/lib/64/libmkl_intel_thread.a 
/opt/cesga/intel/intel10.0/ict/mkl/10.0.011/lib/64/libmkl_core.a -Wl,--end-group -lguide -lpthread

Without setting OMP_NUM_THREADS the programs runs using several threads chosen dynamically by the mkl library (as many 
as processors available) and at the end I am getting a message:
Aborted

Setting OMP_NUM_THREADS=1 the program works without any problem

If I run the statically MKL linked version compiled with -C -traceback, I am getting the following error indepently if I 
set or not OMP_NUM_THREADS:

forrtl: severe (408): fort: (8): Attempt to fetch from allocatable variable BL when it is not allocated

Image              PC                Routine            Line        Source
lapw1c             4000000000719550  Unknown               Unknown  Unknown
lapw1c             4000000000717060  Unknown               Unknown  Unknown
lapw1c             400000000068FB50  Unknown               Unknown  Unknown
lapw1c             400000000061BC10  Unknown               Unknown  Unknown
lapw1c             400000000061A1F0  Unknown               Unknown  Unknown
lapw1c             40000000001ED530  hns_                      277  hns_tmp_.F
lapw1c             4000000000058F70  calkpt_                   169  calkpt_tmp_.F
lapw1c             400000000023A610  MAIN__                     52  lapw1_tmp_.F
lapw1c             4000000000003ED0  Unknown               Unknown  Unknown
libc.so.6.1        200000000056FC20  Unknown               Unknown  Unknown
lapw1c             4000000000003D00  Unknown               Unknown  Unknown

if I look into the  hns_tmp_.F file around line 277:

                               ALMI(IHELP,L0M0,iset) = RHOATM*DIMAG(CIL*PHS(Ihelp,iset)*DCONJG(YL(L0M0,IHELP,iset)))
                               BLMR(IHELP,L0M0,iset) = BL(Ihelp,L0,iset)*ALMR(IHELP,L0M0,iset)
                               BLMI(IHELP,L0M0,iset) = BL(Ihelp,L0,iset)*ALMI(IHELP,L0M0,iset)
                               ALMR(IHELP,L0M0,iset) = AL(Ihelp,L0,iset)*ALMR(IHELP,L0M0,iset)

is it possible that BL were not allocated at that time?

Any clues about what it is happening?

Thanks in advance for your help

Aurelio Rodríguez


-- 
__________________________________
Manuel Aurelio Rodriguez Lopez
Tecnico de Aplicaciones
CESGA
Avda. de Vigo s/n. Campus Sur
15705 - Santiago de Compostela.
SPAIN
Tel.: +34 981 56 98 10 Ext 244
Fax: +34 981 59 46 16
e-mail: aurelio at cesga.es
__________________________________