Re: [AMBER-Developers] Update of PBSA and minor change of configure2

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Fri, 17 Mar 2017 14:26:11 -0400

FYI CUDA 7.5 + intel 15 works for me.

-Dan

On Fri, Mar 17, 2017 at 1:51 PM, Ruxi Qi <ruxiq.uci.edu> wrote:
> Hi Dan,
>
> Thanks! I tested cuda 8.0 + intel 16.0.0 on Ubuntu 16.04, it works after
> resetting stacksize with 'ulimit -s unlimited'. We will address this in
> manual. Now we are addressing license issues.
>
> Best,
>
> Ruxi
>
>
> On 3/17/17 9:30, Daniel Roe wrote:
>> CUDA 7.5 + gnu 4.8.4 works for me now. I'll test some other compilers
>> as well. Thanks!
>>
>> -Dan
>>
>> On Thu, Mar 16, 2017 at 2:54 AM, Ruxi Qi <ruxiq.uci.edu> wrote:
>>> Hi All,
>>>
>>> I fixed a bug of PBSA cuda code when compiling with clang. And also
>>> added a pbsa_cu_libs flag into configure2 per the recommendation of
>>> Jason. Now we have tested several platforms as follows.
>>>
>>> cuda 7.5, gnu 4.4.7: OK
>>> cuda 7.5, gnu 4.8.2: OK
>>> cuda 7.5, clang 6.0: OK
>>> cuda 8.0 gnu 4.4.7: OK
>>> cuda 8.0 gnu 5.4.0: OK
>>> cuda 8.0 intel 15: Failed
>>>
>>> Right now I am setting up another intel machine to do more test. Please
>>> let me know if you see any break. Thanks!
>>>
>>> Best,
>>>
>>> Ruxi
>>>
>>>
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>>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>
>>
>
>
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-- 
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Fri Mar 17 2017 - 11:30:02 PDT
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