From owner-nwchem-users@emsl.pnl.gov Mon Jul 12 03:42:01 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 i6CAg1HQ026943 for ; Mon, 12 Jul 2004 03:42:01 -0700 (PDT) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.12.10/8.12.10/Submit) id i6CAg1b1026942 for nwchem-users-outgoing; Mon, 12 Jul 2004 03:42:01 -0700 (PDT) Message-ID: <40F26B03.6070301@pnl.gov> Date: Mon, 12 Jul 2004 03:42:11 -0700 From: Edoardo Apra` Organization: PNNL User-Agent: Mozilla/5.0 (X11; U; Linux i686; en-US; rv:1.7a) Gecko/20040205 X-Accept-Language: en-us, en MIME-Version: 1.0 To: Cesar Carlos Diaz Torrejon , David Pullman CC: nwchem-user Subject: Re: Problems witn Intel 8.0 compilers References: <1089383298.12101.15.camel@kaliman.iimatercu.unam.mx> <40EEB307.4080301@pnl.gov> <1089389335.12101.37.camel@kaliman.iimatercu.unam.mx> In-Reply-To: <1089389335.12101.37.camel@kaliman.iimatercu.unam.mx> Content-Type: multipart/mixed; boundary="------------040206090604040104090500" Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk This is a multi-part message in MIME format. --------------040206090604040104090500 Content-Type: text/plain; charset=UTF-8; format=flowed Content-Transfer-Encoding: 8bit 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 --------------040206090604040104090500 Content-Type: text/plain; name="pbeginf.c" Content-Transfer-Encoding: base64 Content-Disposition: inline; filename="pbeginf.c" LyogJEhlYWRlcjogL21zcmMvcHJvai9ocGN0b29scy9jdnMvdGNnbXNnLW1waS9wYmVnaW5m LmMsdiAxLjE2IDIwMDQvMDEvMTcgMDE6Mzk6MDQgZWRvIEV4cCAkICovCgojaW5jbHVkZSA8 c3RkaW8uaD4KI2luY2x1ZGUgImZhcmcuaCIKI2luY2x1ZGUgInNuZHJjdi5oIgojZGVmaW5l IExFTiAyNTUKCmV4dGVybiB2b2lkIFBCRUdJTl8oKTsKCiNpZiBkZWZpbmVkKEhQVVgpIHx8 IGRlZmluZWQoU1VOKSB8fCBkZWZpbmVkKFNPTEFSSVMpIHx8ZGVmaW5lZChQQVJBR09OKSB8 fGRlZmluZWQoRlVKSVRTVSkgfHwgZGVmaW5lZChXSU4zMikgfHxkZWZpbmVkKExJTlVYNjQp IHx8IGRlZmluZWQoTkVDKXx8KGRlZmluZWQoTElOVVgpICYgIWRlZmluZWQoSUZDVjhfKSkg fHwgZGVmaW5lZChISVRBQ0hJKSB8fCBkZWZpbmVkKF9fY3JheXgxKQojZGVmaW5lIEhBU19H RVRBUkcgMQojZW5kaWYKCiNpZmRlZiBXSU4zMgojZGVmaW5lIGdldGFyZ18gR0VUQVJHCmV4 dGVybiBpbnQgRkFUUiBJQVJHQyh2b2lkKTsKI2luY2x1ZGUgPHdpbmRvd3MuaD4KI2luY2x1 ZGUgIndpbnV0aWwuaCIKI2RlZmluZSBOVFlQRSBzaG9ydApleHRlcm4gdm9pZCBGQVRSIGdl dGFyZ18oIE5UWVBFICosIGNoYXIqLCBpbnQsIE5UWVBFKik7CiNlbHNlCiNkZWZpbmUgRkFU UiAKI2VuZGlmCgojaWYgZGVmaW5lZChfX2NyYXl4MSkgCiNkZWZpbmUgZ2V0YXJnXyAgcHhm Z2V0YXJnXwojZGVmaW5lIElBUkdDICBpcHhmYXJnY18KI2RlZmluZSBOVFlQRSAgaW50IApl eHRlcm4gdm9pZCBGQVRSIGdldGFyZ18oIE5UWVBFICosIGNoYXIqLCBOVFlQRSosIE5UWVBF KiwgaW50KTsKI2VuZGlmCgoKI2lmICFkZWZpbmVkKEhBU19HRVRBUkcpCnZvaWQgRkFUUiBQ QkVHSU5GXygpCi8qCiAgSW50ZXJmYWNlIHJvdXRpbmUgYmV0d2VlbiBGT1JUUkFOIGFuZCBj IHZlcnNpb24gb2YgcGJlZ2luLgogIFJlbGllcyBvbiBrbm93aW5nIGdsb2JhbCBhZGRyZXNz IG9mIHByb2dyYW0gYXJndW1lbnQgbGlzdCAuLi4gc2VlIGZhcmcuaAoqLwp7CiAgUEJFR0lO XyhBUkdDXywgQVJHVl8pOwp9CiNlbHNlCnZvaWQgRkFUUiBQQkVHSU5GXygpCi8qCiAgSGV3 bGV0dCBQYWNrYXJkIFJpc2MgYm94LCBTcGFyY1dvcmtzIEY3NyAyLiogYW5kIFBhcmFnb24g Y29tcGlsZXJzLgogIEhhdmUgdG8gY29uc3RydWN0IHRoZSBhcmd1bWVudCBsaXN0IGJ5IGNh bGxpbmcgRk9SVFJBTi4KKi8KewogIGV4dGVybiBjaGFyICpzdHJkdXAoKTsKCiNpZiBkZWZp bmVkKFdJTjMyKSB8fCBkZWZpbmVkKF9fY3JheXgxKQogICAgaW50IGFyZ2MgPSBJQVJHQygp ICsgMTsKI2VsaWYgIWRlZmluZWQoSFBVWCkKICAgIGV4dGVybiBpbnQgaWFyZ2NfKCk7CiAg ICBleHRlcm4gdm9pZCBnZXRhcmdfKCk7CiAgICBpbnQgYXJnYyA9IGlhcmdjXygpICsgMTsK I2Vsc2UKIyAgIGlmbmRlZiBFWFROQU1FCiMgICAgIGRlZmluZSBocGFyZ3ZfIGhwYXJndgoj ICAgICBkZWZpbmUgaHBhcmdjXyBocGFyZ2MKIyAgIGVuZGlmCiAgICBleHRlcm4gaW50IGhw YXJndl8oKTsKICAgIGV4dGVybiBpbnQgaHBhcmdjXygpOwogICAgaW50IGFyZ2MgPSBocGFy Z2NfKCk7CiNlbmRpZgogICAgaW50IGksIGxlbiwgbWF4bGVuPUxFTjsKICAgIGNoYXIgKmFy Z3ZbTEVOXSwgYXJnW0xFTl07CgogICAgZm9yIChpPTA7IGk8YXJnYzsgaSsrKSB7CiMgICAg ICBpZiBkZWZpbmVkKEhQVVg2NCkgJiYgZGVmaW5lZChFWFRfSU5UKQogICAgICAgICAgbG9u ZyBpaT1pLCBsbWF4PUxFTjsKICAgICAgICAgIGxlbiA9IGhwYXJndl8oJmlpLCBhcmcsICZs bWF4KTsKIyAgICAgIGVsaWYgZGVmaW5lZChIUFVYKQogICAgICAgICAgbGVuID0gaHBhcmd2 XygmaSwgYXJnLCAmbWF4bGVuKTsKIyAgICAgIGVsaWYgZGVmaW5lZChXSU4zMikgCiAgICAg ICAgICBzaG9ydCBuPShzaG9ydClpLCBzdGF0dXM7CiAgICAgICAgICBnZXRhcmdfKCZuLCBh cmcsIG1heGxlbiwgJnN0YXR1cyk7CiAgICAgICAgICBpZihzdGF0dXMgPT0gLTEpRXJyb3Io ImdldGFyZyBmYWlsZWQgZm9yIGFyZ3VtZW50IixpKTsgCiAgICAgICAgICBsZW4gPSBzdGF0 dXM7CiMgICAgICBlbGlmICBkZWZpbmVkKF9fY3JheXgxKQogICAgICAgICAgTlRZUEUgbj0o TlRZUEUpaSwgc3RhdHVzLGlsZW47CiAgICAgICAgICBnZXRhcmdfKCZuLCBhcmcsICZpbGVu LCAmc3RhdHVzLG1heGxlbik7CiAgICAgICAgICBpZihzdGF0dXMgKUVycm9yKCJnZXRhcmcg ZmFpbGVkIGZvciBhcmd1bWVudCIsaSk7IAogICAgICAgICAgbGVuPShpbnQpaWxlbjsKIyAg ICAgIGVsc2UKICAgICAgICAgIGdldGFyZ18oJmksIGFyZywgbWF4bGVuKTsKICAgICAgICAg IGZvcihsZW4gPSBtYXhsZW4tMjsgbGVuICYmIChhcmdbbGVuXSA9PSAnICcpOyBsZW4tLSk7 CiAgICAgICAgICBsZW4rKzsKIyAgICAgIGVuZGlmCgogICAgICAgYXJnW2xlbl0gPSAnXDAn OyAvKiBpbnNlcnQgc3RyaW5nIHRlcm1pbmF0b3IgKi8KICAgICAgIC8qcHJpbnRmKCIlMTBz LCBsZW49JWRcbiIsIGFyZywgbGVuKTsgIGZmbHVzaChzdGRvdXQpOyovIAogICAgICAgYXJn dltpXSA9IHN0cmR1cChhcmcpOwogIH0KCiAgUEJFR0lOXyhhcmdjLCBhcmd2KTsKfQojZW5k aWYKCnZvaWQgRkFUUiBQQkdJTkZfKCkKLyoKICBBbHRlcm5hdGl2ZSBlbnRyeSBmb3IgdGhv c2Ugc2Vuc3RpdmUgdG8gRk9SVFJBTiBtYWtpbmcgcmVmZXJlbmNlCiAgdG8gNyBjaGFyYWN0 ZXIgZXh0ZXJuYWwgbmFtZXMKKi8KewogIFBCRUdJTkZfKCk7Cn0K --------------040206090604040104090500--