In addition to Dave's suggestions, I am currently working on a patch
to AmberTools that addresses this. Should be out today or tomorrow.
-Dan
On Tue, Oct 18, 2016 at 9:08 AM, David A Case <david.case.rutgers.edu> wrote:
> On Tue, Oct 18, 2016, jacky zhao wrote:
>
>> open-mpi version is 2.0.1. and open-mpi example test is passed.
>> I have used open-mpi to compile cuda and cuda.mpi verion of amber16 without
>> any problems. But error was encountered in the cpu-mpi version of amber16.
>> The information are list below:
>>
>>
>> if (pfile_.Fseek(offset, SEEK_SET)) return 1;
>>
>> FileIO_Mpi.cpp: In member function 'virtual int FileIO_Mpi::Rewind()':
>> FileIO_Mpi.cpp:39:24: error: 'SEEK_SET' was not declared in this scope
>> if (pfile_.Fseek(0L, SEEK_SET)) return 1;
>> ^
>
> Option 1: use an older version of OpenMPI.
> Option 2: use the patch suggested below, or get the github version of
> OpenMPI
> Option 3: use a different MPI, say mpich2
>
> See these previous posts:
>
> http://archive.ambermd.org/201610/0109.html
>
> ...dac
>
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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 Tue Oct 18 2016 - 06:30:06 PDT
