From owner-nwchem-users@emsl.pnl.gov Fri Nov 17 11:46:37 2006 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 kAHJkaQD008100 for ; Fri, 17 Nov 2006 11:46:37 -0800 (PST) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.13.8/8.13.8/Submit) id kAHJkada008099 for nwchem-users-outgoing-0915; Fri, 17 Nov 2006 11:46:36 -0800 (PST) X-Authentication-Warning: odyssey.emsl.pnl.gov: majordom set sender to owner-nwchem-users@emsl.pnl.gov using -f X-IronPort-AV: i="4.09,435,1157353200"; d="scan'208"; a="8363340:sNHT30789381" Message-ID: <455E1199.4030006@pnl.gov> Date: Fri, 17 Nov 2006 11:46:33 -0800 From: Dunyou Wang User-Agent: Thunderbird 1.5.0.8 (X11/20061025) MIME-Version: 1.0 To: Peng Zhang CC: nwchem-users@emsl.pnl.gov Subject: Re: [NWCHEM] NWCHEM 5.0 compilation error References: <72B49B22-F563-4EF1-89CA-F5C1350E08E9@cfa.harvard.edu> In-Reply-To: <72B49B22-F563-4EF1-89CA-F5C1350E08E9@cfa.harvard.edu> Content-Type: text/plain; charset=US-ASCII; format=flowed Content-Transfer-Encoding: 7bit X-OriginalArrivalTime: 17 Nov 2006 19:46:34.0116 (UTC) FILETIME=[16193C40:01C70A81] Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Hi Peng, I could not reproduce the problem you have there on our AMD opteron machine here. However, I use a later version of the PGI compiler: pgf90 6.1-2 64-bit target on x86-64 Linux So your problem is mainly due to the compiler. So I suggest you update your compiler; then this problem would be gone. Also, you can download the binaries, both the tcgmsg and mpich versions built with PGI compiler, we have on the AMD opteron from our website. Another possible solution , if you have either PathScale or Intel compiler on your Opteron, is to use either one of these two compilers. We have built the NWChem 5.0 successfully using these two too. Hope this helps Dunyou Peng Zhang wrote: >> Dear NWCHEM users: >> >> I was trying to compile the nwchem 5.0 using pgf90 (6.0) on our >> opteron cluster. The compilation stopped at eomccsdt_density1.F due >> to the two similar subroutines named >> "OFFSET_eomccsdt_density1_5_13_1_1" and " >> OFFSET_eomccsdt_density1_5_13_1". The compiler kept complaining that >> these are same subroutines. Could anyone give some hints on this? >> >> Thank you very much >> >> Peng >