Posted by pawel wielgus on September 29, 2006 at 13:19:08:
In Reply to: Re: Opteron64 cluster posted by Valera on September 21, 2006 at 17:01:33:
Recently I tried to compile Molcas on our Opteron cluster using Intel compilers (v9.1).
F77 and F95 both pointed to ifort (to the same binary file). Then:
export LD_LIBRARY_PATH=$INTEL/x86_64/f_9.1/lib
./configure -compiler intel -64
(or ./configure -compiler intel - which gives the same in my case)
From configure.log:
OS ........ Linux-x86_64
COMPILER .. intel
SPEED ..... safe
PARALLEL .. no
MSGPASS ...
ADRMODE ... 64
USEDFLAGS.. -compiler intel
Including cfg/Linux-x86_64.cfg
[...]
Locating library files :
LIBC = /usr/lib64/libc.so
Including cfg/Linux-x86_64.cfg (second pass)
Locating compilers
***
*** cfg/Intel.comp: not configured for OS Linux-x86_64
***
F77 = /afs/ipp/amd64_sles9/bin/@COMMON/soft/intel/x86_64/f_9.1/bin/ifort
F90 = /afs/ipp/amd64_sles9/bin/@COMMON/soft/intel/x86_64/f_9.1/bin/ifort
CC = /afs/ipp/amd64_sles9/bin/icc
Saving Symbols to Symbols.bak.
Creating file : Symbols
Creating file : src/Include/configinfo.fh
Creating file : ./src/Driver/molcas.rc
-------------------------
Linux cps01 2.6.5-7.267-smp #1 SMP Wed Jun 21 10:50:51 UTC 2006 x86_64 x86_64 x86_64 GNU/Linux
Intel(R) Fortran Compiler for Intel(R) EM64T-based applications, Version 9.1 Build 20060818 Package ID: l_fc_c_9.1.037
Copyright (C) 1985-2006 Intel Corporation. All rights reserved.
[...]
# Compilers.
CPP='/usr/bin/cpp'
CPPFLAGS='-P -C -D_INTEL_ -D_LINUX_ -D_LARGE_FILES -D_HAVE_UNISTD_ -D_MOLCAS_ -I. -I${INCDIR} -I${GAINC}'
F77='/afs/ipp/amd64_sles9/bin/@COMMON/soft/intel/x86_64/f_9.1/bin/ifort'
F77FLAGS='-O2 -cm -w90 -w95 -I../Include -D_INTEL_ -D_LINUX_ -D_LARGE_FILES -D_HAVE_UNISTD_ -D_MOLCAS_ -I. -I${INCDIR} -I${GAINC}'
F77NOWARN=' '
F77STATIC=' '
F90='/afs/ipp/amd64_sles9/bin/@COMMON/soft/intel/x86_64/f_9.1/bin/ifort'
F90FLAGS='-O2 -cm -w90 -w95 -I../Include -D_INTEL_ -D_LINUX_ -D_LARGE_FILES -D_HAVE_UNISTD_ -D_MOLCAS_ -I. -I${INCDIR} -I${GAINC}'
FPREPROC='F'
PCOMPILER='/afs/ipp/amd64_sles9/bin/icc'
CC='/afs/ipp/amd64_sles9/bin/icc'
CFLAGS='-O2 -w -D_INTEL_ -D_LINUX_ -D_LARGE_FILES -D_HAVE_UNISTD_ -D_MOLCAS_ -I. -I${INCDIR} -I${GAINC}'
LDFLAGS='-Vaxlib'
CLDFLAGS=''
OGLFLAGS='-L/usr/X11R6/lib -lGL -lglut -lGLU -lm'
GLUT=''
PLDFLAGS=''
PCFLAGS=''
DEMO=''
GARBLE=''
MOLCASWIN32='no'
For most of the time the compilation is doing pretty well, but then it crashes on the stage of 'firstrun' (Building Molcas Databases).
From $MOLCAS/Test/Failed_Tests/test000.err:
--- Start Module: seward at Fri Sep 29 13:01:28 CEST 2006
Input File: autoinput.seward.1 ---
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
seward.exe 000000000051FE29 Unknown Unknown Unknown
seward.exe 00000000005A2F8C Unknown Unknown Unknown
seward.exe 0000000000522217 Unknown Unknown Unknown
seward.exe 000000000040370A Unknown Unknown Unknown
seward.exe 00000000004036BA Unknown Unknown Unknown
libc.so.6 0000002A957E2AAA Unknown Unknown Unknown
seward.exe 00000000004035EA Unknown Unknown Unknown
Command exited with non-zero status 174
real 0.00
user 0.00
sys 0.00
--- Stop Module: seward at Fri Sep 29 13:01:28 CEST 2006 /rc=98 ---
--- Stop Module: auto at Fri Sep 29 13:01:28 CEST 2006 /rc=98 ---
After this I tried:
molcas -debug gdb seward test000.input
And the result:
Starting program: /batch2/mcpfs/pwielgus/molcas64.sp1.vb.copy/bin/seward.exe
Program received signal SIGSEGV, Segmentation fault.
0x000000000051fe29 in fzero_ ()
(gdb) where
#0 0x000000000051fe29 in fzero_ ()
#1 0x00000000005a2f8c in initim_ ()
#2 0x0000000000522217 in start_ ()
#3 0x000000000040370a in MAIN__ ()
#4 0x00000000004036ba in main ()
Any help kindly appreciated,
Regards
Pawel Wielgus