From owner-nwchem-users@emsl.pnl.gov Mon Jul 12 11:10:13 2004 Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1]) by odyssey.emsl.pnl.gov (8.12.10/8.12.10) with ESMTP id i6CIADHQ024127 for ; Mon, 12 Jul 2004 11:10:13 -0700 (PDT) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.12.10/8.12.10/Submit) id i6CIACZK024126 for nwchem-users-outgoing; Mon, 12 Jul 2004 11:10:12 -0700 (PDT) Date: Mon, 12 Jul 2004 11:11:42 -0700 From: David Pullman Subject: Re: Problems witn Intel 8.0 compilers In-reply-to: <40F26B03.6070301@pnl.gov> To: Edoardo Apra` , Cesar Carlos Diaz Torrejon Cc: nwchem-user Message-id: <5.2.0.9.0.20040712110932.01dbada0@sciences.sdsu.edu> MIME-version: 1.0 X-Mailer: QUALCOMM Windows Eudora Version 5.2.0.9 Content-type: text/plain; charset=iso-8859-1; format=flowed X-COS-MailScanner: Found to be clean X-MailScanner-SpamCheck: not spam, SpamAssassin (score=0, required 8) X-MailScanner-From: dpullman@sciences.sdsu.edu References: <1089389335.12101.37.camel@kaliman.iimatercu.unam.mx> <1089383298.12101.15.camel@kaliman.iimatercu.unam.mx> <40EEB307.4080301@pnl.gov> <1089389335.12101.37.camel@kaliman.iimatercu.unam.mx> Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from quoted-printable to 8bit by odyssey.emsl.pnl.gov id i6CIACHQ024123 Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Edo, Your solution works. Infinite thanks! Dave At 03:42 AM 7/12/2004 -0700, Edoardo Apra` wrote: >Cesar Carlos and David >I have managed to reproduce your problem under >Rocks 2.3.2 and ifc 8.0 > >This is what I did to bypass the segv problem >1) cd $NWCHEM_TOP/src/tools >2) edit line 9 of tools/tcgmsg-mpi/pbeginf.c >from > >#if defined(HPUX) || defined(SUN) || defined(SOLARIS) ||defined(PARAGON) >||defined(FUJITSU) || defined(WIN32) ||defined(LINUX64) || >defined(NEC)||(defined(LINUX) & !defined(IFCV8)) || defined(HITACHI) || >defined(__crayx1) > >to > >#if defined(HPUX) || defined(SUN) || defined(SOLARIS) ||defined(PARAGON) >||defined(FUJITSU) || defined(WIN32) ||defined(LINUX64) || >defined(NEC)||(defined(LINUX) & !defined(IFCV8_)) || defined(HITACHI) || >defined(__crayx1) > >That is, I have replaced IFCV8 with IFCV8_ (the modified file is attached >in attachment, too) > >3) make FC=ifc >4) cd .. >5) make FC=ifc link > >Edo > >Cesar Carlos Diaz Torrejon wrote: > >>Edo >> I try make this change and the problem persist >> >>Thanks >> >>C.C.Díaz >> >>On Fri, 2004-07-09 at 10:00, Edoardo Apra` wrote: >> > Cesar >> > please try the following commands and let me know if it works: >> > 1) cp INPUT/Feco5.nw nwchem.nw >> > 2) /opt/mpich/intel/bin/mpirun -np 8 -nolocal >> > /home/qchem/nwchem-4.6.mpich/bin/nwchem >> > >> > Edo >> > >> > >> > Cesar Carlos Diaz Torrejon wrote: >> > >> > > Hello All: >> > > >> > > I compiled the nwchem-4.6 in cluster based in Intel Xeon >> > > processors, >> > > usin mpich (compiled for gnu compilers) and apparent all was fine. The >> > > problems is when I try to run a test calculation using mpirun, the >> > > calculation finish with the next error: >> > > >> > > 1. I use this command for run the calculation (I have 8 dual nodes) >> > > >> > > /opt/mpich/intel/bin/mpirun -np 8 -nolocal >> > > /home/qchem/nwchem-4.6.mpich/bin/nwchem INPUT/Feco5.nw >> > > >> > > 2. The error was: >> > > >> > > ARMCI configured for 4 cluster nodes. Network protocol is 'TCP/IP >> > > Sockets'. >> > > argument 1 = INPUT/Feco5.nw >> > > 0:Segmentation Violation error, status=: 11 >> > > 0:Segmentation Violation error, status=: 11 >> > > Last System Error Message from Task 0:: Invalid argument >> > > [0] MPI Abort by user Aborting program ! >> > > [0] Aborting program! >> > > p0_11439: p4_error: : 11 >> > > Killed by signal 2. >> > > >> > > 3. When I compiling completing with gnu compilares I don't have any >> > > problems >> > > >> > > Thanks >> > > >> > > C.C.Díaz >> > > >> > > -- >> > > > > --------------------------------------------------- >> > > M. en C. César Carlos Díaz Torrejón >> > > Administrador de Sistemas Unix >> > > Universidad Nacional Autónoma de México >> > > Instituto de Investigaciones en Materiales >> > > Oficina: A-007 >> > > e-mail: ccdiazt@kaliman.iimatercu.unam.mx >> > > tel: (55)-5622-4611 (oficina) >> > > 044-55-54070362 (celular) >> > > ---------------------------------------------------- >> > > >>-- >> >> --------------------------------------------------- >> M. en C. César Carlos Díaz Torrejón >> Administrador de Sistemas Unix >> Universidad Nacional Autónoma de México >> Instituto de Investigaciones en Materiales >> Oficina: A-007 >> e-mail: ccdiazt@kaliman.iimatercu.unam.mx >> tel: (55)-5622-4611 (oficina) >> 044-55-54070362 (celular) >> ---------------------------------------------------- > >-- >Edoardo Aprà - PNNL - Battelle Blvd - Richland, WA 99352, MS K8-91 >Tel +1-509-376-1280 Fax +1-509-376-0420 > > > > >/* $Header: /msrc/proj/hpctools/cvs/tcgmsg-mpi/pbeginf.c,v 1.16 2004/01/17 >01:39:04 edo Exp $ */ > >#include >#include "farg.h" >#include "sndrcv.h" >#define LEN 255 > >extern void PBEGIN_(); > >#if defined(HPUX) || defined(SUN) || defined(SOLARIS) ||defined(PARAGON) >||defined(FUJITSU) || defined(WIN32) ||defined(LINUX64) || >defined(NEC)||(defined(LINUX) & !defined(IFCV8_)) || defined(HITACHI) || >defined(__crayx1) >#define HAS_GETARG 1 >#endif > >#ifdef WIN32 >#define getarg_ GETARG >extern int FATR IARGC(void); >#include >#include "winutil.h" >#define NTYPE short >extern void FATR getarg_( NTYPE *, char*, int, NTYPE*); >#else >#define FATR >#endif > >#if defined(__crayx1) >#define getarg_ pxfgetarg_ >#define IARGC ipxfargc_ >#define NTYPE int >extern void FATR getarg_( NTYPE *, char*, NTYPE*, NTYPE*, int); >#endif > > >#if !defined(HAS_GETARG) >void FATR PBEGINF_() >/* > Interface routine between FORTRAN and c version of pbegin. > Relies on knowing global address of program argument list ... see farg.h >*/ >{ > PBEGIN_(ARGC_, ARGV_); >} >#else >void FATR PBEGINF_() >/* > Hewlett Packard Risc box, SparcWorks F77 2.* and Paragon compilers. > Have to construct the argument list by calling FORTRAN. >*/ >{ > extern char *strdup(); > >#if defined(WIN32) || defined(__crayx1) > int argc = IARGC() + 1; >#elif !defined(HPUX) > extern int iargc_(); > extern void getarg_(); > int argc = iargc_() + 1; >#else ># ifndef EXTNAME ># define hpargv_ hpargv ># define hpargc_ hpargc ># endif > extern int hpargv_(); > extern int hpargc_(); > int argc = hpargc_(); >#endif > int i, len, maxlen=LEN; > char *argv[LEN], arg[LEN]; > > for (i=0; i# if defined(HPUX64) && defined(EXT_INT) > long ii=i, lmax=LEN; > len = hpargv_(&ii, arg, &lmax); ># elif defined(HPUX) > len = hpargv_(&i, arg, &maxlen); ># elif defined(WIN32) > short n=(short)i, status; > getarg_(&n, arg, maxlen, &status); > if(status == -1)Error("getarg failed for argument",i); > len = status; ># elif defined(__crayx1) > NTYPE n=(NTYPE)i, status,ilen; > getarg_(&n, arg, &ilen, &status,maxlen); > if(status )Error("getarg failed for argument",i); > len=(int)ilen; ># else > getarg_(&i, arg, maxlen); > for(len = maxlen-2; len && (arg[len] == ' '); len--); > len++; ># endif > > arg[len] = '\0'; /* insert string terminator */ > /*printf("%10s, len=%d\n", arg, len); fflush(stdout);*/ > argv[i] = strdup(arg); > } > > PBEGIN_(argc, argv); >} >#endif > >void FATR PBGINF_() >/* > Alternative entry for those senstive to FORTRAN making reference > to 7 character external names >*/ >{ > PBEGINF_(); >}