From owner-nwchem-users@emsl.pnl.gov Wed Nov 28 08:09:39 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 lASG9ccJ008106 for ; Wed, 28 Nov 2007 08:09:39 -0800 (PST) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.14.1/8.14.1/Submit) id lASG9cAZ008105 for nwchem-users-outgoing-0915; Wed, 28 Nov 2007 08:09:38 -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: 5.9 X-IronPort-Anti-Spam-Filtered: true X-IronPort-Anti-Spam-Result: AgAAAC8hTUeBGwLKn2dsb2JhbACBW41jAQEBAQcEBgkIGA X-IronPort-AV: E=Sophos;i="4.23,225,1194249600"; d="scan'208";a="38516312" X-DKIM: Sendmail DKIM Filter v2.3.2 mailrelay1.tugraz.at lASG9Uk7017253 DKIM-Signature: v=1; a=rsa-sha256; c=simple/simple; d=tugraz.at; s=mailrelay; t=1196266172; bh=7cczkkf8iwpVDLRd8/WytRlFsyC4W6vA51ldP RrIKog=; h=Message-ID:X-Priority:Date:From:To:Subject:References: In-Reply-To:MIME-Version:Content-Type:Content-Disposition: Content-Transfer-Encoding:User-Agent:X-Organization: X-Originating-IP:X-Remote-Browser; b=XvhDH6NGeAVdi+MKE6EOhLBo0+A9a 7ROJUr4hfdSaitHpwPq5odFz7vohAdUHhurFBb/rxoRg2fAO1vxLoK1BqKwGoZBEJpq pHxGrPXF9YeareSpoBpDX/9hvPqFfXc1CHhcY3V8UV5bFSg5XSP7pT1mzZnWNB38H7W 1rLNsqVo= Message-ID: <20071128170929.13313ev0gr463o4k@webmail.tugraz.at> X-Priority: 3 (Normal) Date: Wed, 28 Nov 2007 17:09:29 +0100 From: =?iso-8859-15?b?SvZyZyA=?= =?iso-8859-15?b?U2HfbWFubnNoYXVzZW4=?= To: nwchem-users@emsl.pnl.gov Subject: RE: [NWCHEM] gfortran (gcc-4.1.2) system error message: Bad file descriptor References: In-Reply-To: MIME-Version: 1.0 Content-Type: text/plain; charset=ISO-8859-15; DelSp="Yes"; format="flowed" Content-Disposition: inline Content-Transfer-Encoding: quoted-printable User-Agent: Internet Messaging Program (IMP) H3 (4.2-cvs) X-Organization: Graz University of Technology X-Originating-IP: 80.122.232.226 X-Remote-Browser: Mozilla/4.0 (compatible; MSIE 6.0; Windows NT 5.1; SiteKiosk 5.5 Build 45) X-Spam-Scanner: SpamAssassin 3.002003 X-Spam-Score-relay: -4.4 X-Scanned-By: MIMEDefang 2.63 on 129.27.10.18 Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Hi Valmor, I compiled NWChem5.0 on an old PIII with gfortran-4.1.2 and MPICH2. So this is working, at least for 32bit. Also, I got it running using =20 the Intel Compiler which makes more sense on Intel CPUs (IMHO). How did you start the job? As you are using MPI(CH), you don't really =20 need the TCGMSG as as far as I understand it, this is only needed if =20 you are not using MPI. With MPICH, you have to use mpiexec -n /path/to/nwchem /path/to/input/file I am currently away, so please don't contact me directly as I won't be =20 able to reply straight away but others on the email list might be able =20 to help. Best wishes J=F6rg > Hello, > > A bit more info on this issue. If I compile with MPI enabled, the > resultant code works. Therefore it seems that there is a problem with > gfortran (gcc-4.1.2) and TCGMSG. > > Has anyone been able to compile TCGMSG with gfortran 4.1.2 and obtain a > functional "parallel" executable? > > Thanks, > > -- > Valmor de Almeida > >> -----Original Message----- >> From: owner-nwchem-users@emsl.pnl.gov [mailto:owner-nwchem- >> users@emsl.pnl.gov] On Behalf Of de Almeida, Valmor F. >> Sent: Saturday, November 24, 2007 3:46 PM >> To: nwchem-users@emsl.pnl.gov >> Subject: [NWCHEM] system error message: Bad file descriptor >> >> >> Hello, >> >> After an OS system upgrade, I decided to build nwchem-5.0 with > gfortran >> (gcc-4.1.2) on an intel linux box. Before the upgrade, I had nwchem-5 >> working on the system but it was compiled with the intel ifort > compiler >> (intel-9.1). >> >> Here is what happens now: >> >> parallel nwchem input.nw >> >> works fine as long as the nwchem.p file calls for 1 processor. More > than >> 1 processor gives the error below. >> >> Any inputs appreciated. >> >> Thanks, >> >> -- >> Valmor >> >> >> [snip...] >> >> Summary of "ao basis" -> "" (cartesian) >> >> > ------------------------------------------------------------------------ >> ------ >> Tag Description Shells Functions > and >> Types >> ---------------- ------------------------------ ------ >> --------------------- >> h 6-31g 2 2 2s >> o 6-31g 5 9 3s2p >> >> NWChem DFT Module >> ----------------- >> >> Water in 6-31g basis set DFT optimization xc b3lyp >> >> sock=3D0, pid=3D1, nsent=3D-1, len=3D28 >> 1: snd_remote: writing message to socket 199999999 (0xbebc1ff). >> 1: snd_remote: writing message to socket 199999999 (0xbebc1ff). >> system error message: Bad file descriptor >> 0:Child process terminated prematurely, status=3D: 256 >> 0:Child process terminated prematurely, status=3D: 256 >> Last System Error Message from Task 0:: Inappropriate ioctl for device >> 0: ARMCI aborting 256 (0x100). >> 0: ARMCI aborting 256 (0x100). >> system error message: Inappropriate ioctl for device >> 2: interrupt(1) >> WaitAll: No children or error in wait? >