From owner-nwchem-users@emsl.pnl.gov Tue Mar 28 09:55:43 2006 Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1]) by odyssey.emsl.pnl.gov (8.13.6/8.13.6) with ESMTP id k2SHth68007263 for ; Tue, 28 Mar 2006 09:55:43 -0800 (PST) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.13.6/8.13.6/Submit) id k2SHth9Z007262 for nwchem-users-outgoing-0915; Tue, 28 Mar 2006 09:55:43 -0800 (PST) Date: Tue, 28 Mar 2006 09:55:40 -0800 From: Dunyou Wang Subject: Re: [NWCHEM] Nwchem 4.7 Compilation with IFC problems In-reply-to: <44296B8B.4090807@klingon.uab.es> To: marc@klingon.uab.es Cc: nwchem-users@emsl.pnl.gov Message-id: <4429789C.5000700@pnl.gov> MIME-version: 1.0 Content-type: text/plain; format=flowed; charset=ISO-8859-1 Content-transfer-encoding: 7bit User-Agent: Thunderbird 1.5 (X11/20051201) References: <4428EC74.6030804@klingon.uab.es> <442921D9.3060800@ens-lyon.fr> <44292FE0.1080404@klingon.uab.es> <1143563329.44296441b435d@bamamail.ua.edu> <44296B8B.4090807@klingon.uab.es> X-OriginalArrivalTime: 28 Mar 2006 17:55:40.0816 (UTC) FILETIME=[D3C2B900:01C65290] Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Hi Marc, It seems that you have some residues from previous compilation. So please go to the nwchem/src directory to issue: make realclean Then recompile the program using Intel Fortran Compiler. In addition, For InfiniBand connections, the MVAPICH is installed over the IB softwares, So you'd better to compile nwchem using the MPI option.(I assume that you've already set up the IB environment for NWChem compilation.) Cheers Dunyou Wang Marc Noguera wrote: > Hello all, > I have tried the different suggested options. The -Vaxlib and IFCV8=y > options did not work. Moreover I think, -Vaxlib is the default for > ifc. I have tried FC=ifc and CC=icc as well, which I did on the > beginnig as these are needful for using intel compilers. No exit. > I have checked make.log file with no results on g77 or gfortran > search. On the other hand I have taken a look to farg.h but do not > understand much of it. Am i supposed to pass a correct flag to the > compiler, which defines argc or argv versions?,how can i do that?. > Any other ideas? > by the way error message in make.log are still the same if using the > above options. > > Thanks a lot > Marc > > En/na Shenggang Li ha escrit: > >> Hi, I have built NWChem with intel compilers for many times. The trick >> is that you have to issue the following command: >> >> make FC=ifc CC=icc >& make.log & >> >> Prior to this command, you might do (but I found this isn't necessary): >> >> make FC=ifc CC=icc nwchem_config >& config.log & >> >> Hope this will help. >> >> Quoting Giacomo Mulas : >> >> >> >>> On Tue, 28 Mar 2006, Marc Noguera wrote: >>> >>> >>>> Hello, >>>> I have tried this option with the FC=ifort -Vaxlib for the make >>>> resulting in the very same error. Any idea? >>>> >>> Marc, check the log of your compilation. Something, somewhere in the >>> NWChem >>> tree, has been compiled with the gnu compiler, and you meet an error >>> when >>> trying to link object code compiled with ifc with object code linked >>> with >>> g77 (or gfortran). This happened to me already, as well as to other >>> people >>> before. I don't remember exactly what NWChem directory was >>> erroneously >>> compiled with g77 nor why nor how I solved it. Browse the mailing >>> list for >>> it. Make sure that everything is compiled by ifc/icc (or link >>> against >>> libg2c.a). >>> >>> Bye >>> Giacomo >>> >>> -- >>> _________________________________________________________________ >>> >>> Giacomo Mulas >>> _________________________________________________________________ >>> >>> OSSERVATORIO ASTRONOMICO DI CAGLIARI >>> Str. 54, Loc. Poggio dei Pini * 09012 Capoterra (CA) >>> >>> Tel. (OAC): +39 070 71180 248 Fax : +39 070 71180 222 >>> Tel. (UNICA): +39 070 675 4916 >>> _________________________________________________________________ >>> >>> "When the storms are raging around you, stay right where you are" >>> (Freddy Mercury) >>> _________________________________________________________________ >>> >>> -- >>> Il messaggio e' stato analizzato alla ricerca di virus o >>> contenuti pericolosi da MailScanner, ed e' >>> risultato non infetto. >>> >>> >> >> >> >> >