From owner-nwchem-users@emsl.pnl.gov Mon Jun  4 11:18:09 2007
Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1])
	by odyssey.emsl.pnl.gov (8.13.8/8.13.8) with ESMTP id l54II873000427
	for <nwchem-users-outgoing-0915@odyssey.emsl.pnl.gov>; Mon, 4 Jun 2007 11:18:09 -0700 (PDT)
Received: (from majordom@localhost)
	by odyssey.emsl.pnl.gov (8.13.8/8.13.8/Submit) id l54II874000426
	for nwchem-users-outgoing-0915; Mon, 4 Jun 2007 11:18:08 -0700 (PDT)
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: 4.7
X-IronPort-Anti-Spam-Filtered: true
X-IronPort-Anti-Spam-Result: AgAAAK/0Y0aBYQRkk2dsb2JhbACPcwEBAQEHCAYNHw
X-IronPort-AV: E=Sophos;i="4.16,381,1175497200"; 
   d="scan'208";a="33939767"
Message-ID: <4664574E.1050905@sharcnet.ca>
Date: Mon, 04 Jun 2007 14:17:50 -0400
From: Jemmy Hu <jemmyhu@sharcnet.ca>
User-Agent: Thunderbird 1.5.0.10 (Windows/20070221)
MIME-Version: 1.0
To: nwchem-users@emsl.pnl.gov
Subject: [NWCHEM] nwchem 5.0 compile problems
References: <Pine.SGI.3.96.1070604111000.3794431J-100000@zion.americas.sgi.com> <46643EC8.4010807@pnl.gov>
In-Reply-To: <46643EC8.4010807@pnl.gov>
Content-Type: text/plain; charset=ISO-8859-1; format=flowed
Content-Transfer-Encoding: 7bit
X-Greylist: Sender succeeded SMTP AUTH authentication, not delayed by milter-greylist-2.0 (sciborg.uwaterloo.ca [129.97.4.100]); Mon, 04 Jun 2007 14:18:03 -0400 (EDT)
X-Miltered: at psyche with ID 46645753.001 by Joe's j-chkmail (http://j-chkmail.ensmp.fr)!
X-Virus-Scanned: ClamAV version 0.90.2, clamav-milter version 0.90.2 on localhost
X-Virus-Status: Clean
X-UUID: b3fc96e3-c14d-44ee-8e6c-3ab26cecf68a
Sender: owner-nwchem-users@emsl.pnl.gov
Precedence: bulk

Hello,

We have clusters (AMD Opteron runs RH based x86-64 linux) with  
different network
  interconnections (Giganet, Myrinet and Elan). NWChem can be compiled
  without specifying ARMCI_NETWORK while use MPI.
  In this case, NWChem's default communication is TCP/IP with a message 
such as:
  "ARMCI configured for 2 cluster nodes. Network protocol is 'TCP/IP 
Sockets'".

  Now, the problems are to build NWChem with native network solutions
  by following the instruction in the INSTALL documentation

  1) adding ARMCI_NETWORK=VIA for a Gig cluster, the error is
  pgcc -O -I/opt/mpich2/current/include -DLINUX64 -DLINUX -DSYSV 
  -DPTHREADS -DDATA_SERVER -DSERVER_THREAD -D_REENTRANT -DMPI -DVIA   -c 
  -o via.o via.c
  PGC-F-0206-Can't find include file vipl.h (via.c: 16)
  PGC/x86-64 Linux/x86-64 6.1-6: compilation aborted

  2) specifying ARMCI_NETWORK=Elan4 for a Quadrics-Elan4 cluster
  
/work/NWChem/nwchem-5.0/src/tools/lib/LINUX64/libarmci.a(strided.o)(.text+0x4455): 
In function `_armci_rem_value':: undefined reference to  `armci_rem_strided'
  
/work//NWChem/nwchem-5.0/src/tools/lib/LINUX64/libarmci.a(rmw.o)(.text+0x27b):  

  In function `ARMCI_Rmw':: undefined reference to `armci_rem_rmw'
  
/work/jemmyhu/NWChem/nwchem-5.0/src/tools/lib/LINUX64/libarmci.a(pack.o)(.text+0xca6): 
In function `armci_pack_vector':: undefined reference to  `armci_rem_vector'
  collect2: ld returned 1 exit statusmake: *** [all] Error 1

  3) add ARMCI_NETWORK=GM on a Myrinet with GM libraries cluster
  
/work/nwchem-5.0/src/tools/lib/LINUX64/libarmci.a(myrinet.o)(.text+0x14cb): 
In 
  function `armci_gm_client_init':: undefined reference to `gmpi_gm_port'
  collect2: ld returned 1 exit status

  Can anyone tell us what libraries are missing here? Should we install 
ARMCI seperately?

  Our understanding is that NWChem doesn't use mpi except for mpi_init and
   mpi_finalize. once it knows the hosts involved, it switches to using gm
  or elan directly, bypassing mpi for all actual messaging.
  We heard someone from pathscale/qlogic that he has contributed a patch to
  nwchem/armci which actually does use mpi, and so would not require
  separate compilation for each interconnect.
  Is this true and how?

  Thanks a lot!
  Jemmy