From owner-nwchem-users@emsl.pnl.gov Mon Nov 5 01:09:39 2007 Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1]) by odyssey.emsl.pnl.gov (8.14.1/8.14.1) with ESMTP id lA599cK1025539 for ; Mon, 5 Nov 2007 01:09:39 -0800 (PST) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.14.1/8.14.1/Submit) id lA599cRO025538 for nwchem-users-outgoing-0915; Mon, 5 Nov 2007 01:09:38 -0800 (PST) X-Authentication-Warning: odyssey.emsl.pnl.gov: majordom set sender to owner-nwchem-users@emsl.pnl.gov using -f X-Ironport-SG: OK_Domains X-Ironport-SBRS: 3.5 X-IronPort-Anti-Spam-Filtered: true X-IronPort-Anti-Spam-Result: AgAAAPJsLkeCSwJrh2dsb2JhbACOcAIBCAopgQ8 X-IronPort-AV: E=Sophos;i="4.21,371,1188802800"; d="scan'208";a="54734245" Message-ID: <472EDDC6.3050603@zsr.uni-hannover.de> Date: Mon, 05 Nov 2007 10:09:26 +0100 From: Henryk Wicke User-Agent: Thunderbird 2.0.0.6 (Windows/20070728) MIME-Version: 1.0 To: Dunyou Wang CC: nwchem-users@emsl.pnl.gov Subject: Re: [NWCHEM] NWChem with LAM 7.1.4: Segmentation violation errors References: <47260718.7030702@zsr.uni-hannover.de> <4726497B.20405@pnl.gov> <472701A2.7010900@zsr.uni-hannover.de> <4727548E.1020509@pnl.gov> <4727751C.1040804@zsr.uni-hannover.de> <47277AFA.2090308@pnl.gov> <4727857B.3080304@zsr.uni-hannover.de> <4727885C.1080900@pnl.gov> In-Reply-To: <4727885C.1080900@pnl.gov> Content-Type: text/plain; charset=ISO-8859-15; format=flowed Content-Transfer-Encoding: 7bit X-PMX-Version: 5.3.0.289146, Antispam-Engine: 2.5.0.283055, Antispam-Data: 2007.11.5.5222 Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Dear Dunyou, "uname -a" yields (accordingly for the non-login nodes): Linux login.cluster 2.6.22.6 #1 SMP Wed Sep 12 10:23:48 CEST 2007 i686 i686 i386 GNU/Linux "ifort -V" yields: Intel(R) Fortran Compiler for 32-bit applications, Version 9.1 Build 20070215Z Package ID: l_fc_c_9.1.043 Copyright (C) 1985-2007 Intel Corporation. All rights reserved. FOR NON-COMMERCIAL USE ONLY Thanks, Henryk Dunyou Wang wrote: > Would you please type "uname -a" and "ifort -V" on your platform and > tell me what you have there? > > Thanks > Dunyou > > > Henryk Wicke wrote: >> Dunyou Wang wrote: >>> Which means something is not right with the MPI libs you have there >>> then. >>> >>> Since you are not using MPI, mpirun now won't give you parallel >>> calculation now, that's the reason you saw the identical time. You >>> should have a 'parallel' command created in your $NWCHEM_TOP/bin/LINUX >>> directory. Use 'parallel' to run the multiple core calculation (see >>> NWChem user manual on the webpage). >>> >>> --Dunyou >> OK, when using "parallel" it starts running with multiple cores but >> crashes with Segmentation Violation errors again: >> >>> Grid_pts file = ./nwchem.gridpts.0 >>> Record size in doubles = 12289 No. of grid_pts per rec = >>> 3070 >>> Max. records in memory = 100 Max. recs in file = 454575 >>> >>> 2:Segmentation Violation error, status=: 11 >>> 1:Segmentation Violation error, status=: 11 >>> 2:Segmentation Violation error, status=: 11 >>> 1:Segmentation Violation error, status=: 11 >>> 3:Segmentation Violation error, status=: 11 >>> Last System Error Message from Task 2:: Inappropriate ioctl for device >>> Last System Error Message from Task 1:: Inappropriate ioctl for device >>> Last System Error Message from Task 3:: Inappropriate ioctl for device >>> 1: ARMCI aborting 11 (0xb). >>> 2: ARMCI aborting 11 (0xb). >>> system error message: Inappropriate ioctl for device >>> system error message: Inappropriate ioctl for device >>> 3: ARMCI aborting 11 (0xb). >>> system error message: Inappropriate ioctl for device >>> 0: SemWait: error from semop -1 (0xffffffff). >>> system error message: Identifier removed >>> 3:Segmentation Violation error, status=: 11 >>> 2: ARMCI aborting 11 (0xb). >>> 1: ARMCI aborting 11 (0xb). >>> 3: ARMCI aborting 11 (0xb). >>> 0: SemWait: error from semop -1 (0xffffffff). >> Pretty much the same happens when I use my other non-MPI binary which >> passed QA tests in sequential mode (never thought about not using MPI >> for parallel calculations so far). >> >> Thanks and best regards, >> Henryk >> >