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

From: Ruxi Qi <ruxiq.uci.edu>
Date: Fri, 17 Mar 2017 11:38:34 -0700

Great! Thanks a lot!

Best,

Ruxi


On 3/17/17 11:26, Daniel Roe wrote:
> 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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>>>
>>
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>
>


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Received on Fri Mar 17 2017 - 12:00:02 PDT
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