Re: [AMBER] error while installing AMBER for GPU

From: David A Case <>
Date: Wed, 14 Mar 2018 16:07:36 -0400

On Wed, Mar 14, 2018, malkeet singh Bahia wrote:
> I didn't find any *.dif file. Below are make test results
> 62 file comparisons passed
> 35 file comparisons failed
> 0 tests experienced errors

Right below this output, there should be pointers to where all the logs
are: they will be under $AMBERHOME/logs, and labelled by the type of
test and the date.

Note that just saying you typed "make test" is not very helpful, since
we would need to know what the most recent flags to configure were. The
expected Amber workflow is this:

   ./configure gnu (say)
   make install #installs serial programs
   make test # tests serial programs

   ./configure -cuda gnu
   make install #installs cuda programs
   make test # tests cuda programs

Be *sure* that serial cuda programs are working for you before
proceeding to parallel cuda programs. And try to ensure that you really
need parallel cuda capability before trying to install it. Unless you
have good hardware, and a need to run a single simulation at the fastest
possible speed, you will probably find that installing parallel cuda
programs are not very helpful.


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Received on Wed Mar 14 2018 - 13:30:02 PDT
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