Re: [AMBER] Actual Intel Compiler Version Used

From: Ismail, Mohd F. <farid.ou.edu>
Date: Tue, 25 Jun 2013 00:28:35 +0000

Dr. Roe, Here is my system specs: AMD Opteron Magny-cours 8-core CentOS 6.4 Intel Compiler 11.1 073 What I did: unpack AT1.5 set AMBERHOME cd $AMBERHOME export PATH="AMBERHOME/bin:$PATH" apply patch (patch -p0 -N < bugfix.all) cd to $AMBERHOME/AmberTools/src ./configure intel make serial The compile will stop at compiling MTK+. I have included the error log and the config.h generated. The error log is truncated to reduce the size. ******************************* Mohd Farid Ismail Graduate Student Dept. of Chemistry/Biochemistry University of Oklahoma Norman 73019 ________________________________________ From: Daniel Roe [daniel.r.roe.gmail.com] Sent: Sunday, June 23, 2013 10:10 PM To: AMBER Mailing List Subject: Re: [AMBER] Actual Intel Compiler Version Used Hi, On Sun, Jun 23, 2013 at 7:47 PM, Ismail, Mohd F. <farid.ou.edu> wrote: > Hi, can anyone let me know what was the actual version of intel compiler used for Amber11 and Amber12? And AmberTools 1.5 and AT12/13? Amber is tested with a variety of compiler suites and versions. I was just able to compile AmberTools 1.5 with Intel compilers version 11.1 (20090511). Could you post your exact configuration, the flags you provided to configure, and the error you received? -Dan -- ------------------------- Daniel R. Roe, PhD Department of Medicinal Chemistry University of Utah 30 South 2000 East, Room 201 Salt Lake City, UT 84112-5820 http://home.chpc.utah.edu/~cheatham/ (801) 587-9652 (801) 585-9119 (Fax) _______________________________________________ AMBER mailing list AMBER.ambermd.org http://lists.ambermd.org/mailman/listinfo/amber

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Received on Mon Jun 24 2013 - 17:30:02 PDT
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