Re: [gmx-users] About Compiler Compatibility for Gromacs 4.6.2 Compilation

2013-11-10 Thread Mark Abraham
On Nov 10, 2013 10:04 AM, Mark Abraham mark.j.abra...@gmail.com wrote:

 Yes (unless you are using AMD cpus), per the installation instructions,
 although you will probably do slightly better with GCC 4.7, and should not
 do a new install of 4.6.2 after 4.6.3 is released. In particular, 4.6.2 has
 an affinity-related performance regression when using external MPI
 libraries.

 Mark
 On Nov 10, 2013 7:55 AM, vidhya sankar scvsankar_...@yahoo.com wrote:



 Dear Justin and Mark Thank you for your Previous reply
 Can i Use the Following Intel  Compiler  for grmacs 4.6.2
 in centos Linux OS ?

  Intel® C++ Composer XE 2013 for Linux

 it Includes Intel® C++ Compiler, Intel® Integrated Performance Primitives
 7.1, Intel® Math Kernel Library 11.0,
 Intel Cilk™ Plus, the Intel® Threading Building Blocks (Intel® TBB)”

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[gmx-users] About Compiler Compatibility for Gromacs 4.6.2 Compilation

2013-11-09 Thread vidhya sankar


Dear Justin and Mark Thank you for your Previous reply
    Can i Use the Following Intel  Compiler  for grmacs 4.6.2 in 
centos Linux OS ?

 Intel® C++ Composer XE 2013 for Linux

it Includes Intel® C++ Compiler, Intel® Integrated Performance Primitives 7.1, 
Intel® Math Kernel Library 11.0, 
Intel Cilk™ Plus, the Intel® Threading Building Blocks (Intel® TBB)”

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