Re: [AMBER] error while installing AMBER for GPU

From: David A Case <david.case.rutgers.edu>
Date: Mon, 12 Mar 2018 13:24:15 -0400

On Mon, Mar 12, 2018, malkeet singh Bahia wrote:

> /usr/local/bin/mpif90 -help
>
> Error: A license for FCompL could not be obtained
> Your license has expired.
>
> License file(s) used were (in this order):
> 1. Trusted Storage
> ** 2. /usr/biu/packages/intel/licenses/l_X7VCXJ42.lic
> ** 3. /usr/biu/packages/intel/composer_xe_2013_sp1.1.106/Licenses
> ** 4. /home/gnss/singhma/intel/licenses
> ** 5. /Users/Shared/Library/Application Support/Intel/Licenses
> ** 6. /usr/biu/packages/intel/composer_xe_2013_sp1.1.106/bin/intel64/*.lic

One extra point: in pmemd.cuda, (almost) all the calculation is done
on the GPU. So there is no speed benefit there in using intel
compilers: you should stick with gnu compilers.

....dac


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Received on Mon Mar 12 2018 - 10:30:03 PDT
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