Hello!
I installed AMBER using ./configure -cuda -mpi gnu
when i ran make test, some of the test are failed, does it has something to
deal with installation?
Moreover I am able to see only few files in the bin folder. Do i need to
compile AMber without -cuda and -mpi flag as well to get the CPU related
programs?
Thanks!
On Tue, 13 Mar 2018 at 20:37 malkeet singh Bahia <msbahia17.gmail.com>
wrote:
> in case of solely CUDA install, i tried adding following (CUDA_HOME/lib64
> as per your suggestion) to my source file but still shared library error
> exists.
> setenv CUDA_HOME /usr/local/cuda-6.5/
> setenv LD_LIBRARY_PATH /usr/local/cuda-6.5/lib64
>
>
> On Tue, 13 Mar 2018 at 20:34 malkeet singh Bahia <msbahia17.gmail.com>
> wrote:
>
>> one more thing, Do I need to modify some paths in my source file now?
>>
>>
>> On Tue, 13 Mar 2018 at 20:14 malkeet singh Bahia <msbahia17.gmail.com>
>> wrote:
>>
>>> Thanks!
>>> I tried using ./configure_mpich from AMBERHOME/AMBERTOOL/////src and and
>>> as per suggestions installed mpich in this directory. then running
>>> configure script created a bin folder in AMBERHOME. bin directory contain
>>> ~20 files like mpi** . Now what to do?
>>> should i go back to amberhome and use./configure -mpi gnu ?
>>>
>>> Many thanks in advance!
>>>
>>> On Tue, 13 Mar 2018 at 18:34 Daniel Roe <daniel.r.roe.gmail.com> wrote:
>>>
>>>> On Tue, Mar 13, 2018 at 12:14 PM, malkeet singh Bahia
>>>> <msbahia17.gmail.com> wrote:
>>>> > Than I tried with mpi flag and getting same error as earlier (i'm
>>>> working
>>>> > on it)
>>>>
>>>> The issue with your MPI build is with your compilers, as Dave
>>>> previously indicated. Your MPI compiler is configure for Intel, and
>>>> your Intel license appears expired. One workaround is to download and
>>>> unpack Mpich or Openmpi in $AMBERHOME/AmberTools/src and then use
>>>> 'configure_mpich' or 'configure_openmpi' to build your own MPI (which
>>>> will live in $AMBERHOME).
>>>>
>>>> > when i used -cuda flag the installation is complete but in make test,
>>>> it
>>>> > showed 'error while loading shared libraries:libcurand.so.6.5: cannot
>>>> open
>>>> > the shared object file.
>>>> >
>>>> > I have added few paths in the .cshrc file, please have a look on this
>>>> and
>>>> > tell me if anything needed to be changed
>>>> >
>>>> > setenv CUDA_HOME /usr/local/cuda-6.5/
>>>> > setenv LD_LIBRARY_PATH
>>>> > "/usr/local/cuda-6.5/targets/x86_64-linux/lib/:${LD_LIBRARY_PATH}"
>>>> > setenv PATH "${path}:${CUDA_HOME}/bin"
>>>>
>>>> Try $CUDA_HOME/lib64 instead.
>>>>
>>>> -Dan
>>>>
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>>>> http://lists.ambermd.org/mailman/listinfo/amber
>>>>
>>> --
>>> Thanks & Warm Regards
>>>
>>>
>>> Malkeet S. Bahia, PhD
>>> Post Doctoral Fellow at the lab of Prof. Hanoch Senderowitz
>>> PBC Indo-Israel Post-doc fellowship
>>> Dept. of Chemistry, Building 211, Room no. 211
>>> Bar Ilan University, Ramat Gan, 5290002, ISRAEL
>>>
>>> Mobile: +91-9815988501 <098159%2088501> (India, watts app only)
>>> +972-584553434 <+972%2058-455-3434> (Israel number)
>>>
>> --
>> Thanks & Warm Regards
>>
>>
>> Malkeet S. Bahia, PhD
>> Post Doctoral Fellow at the lab of Prof. Hanoch Senderowitz
>> PBC Indo-Israel Post-doc fellowship
>> Dept. of Chemistry, Building 211, Room no. 211
>> Bar Ilan University, Ramat Gan, 5290002, ISRAEL
>>
>> Mobile: +91-9815988501 <098159%2088501> (India, watts app only)
>> +972-584553434 <+972%2058-455-3434> (Israel number)
>>
> --
> Thanks & Warm Regards
>
>
> Malkeet S. Bahia, PhD
> Post Doctoral Fellow at the lab of Prof. Hanoch Senderowitz
> PBC Indo-Israel Post-doc fellowship
> Dept. of Chemistry, Building 211, Room no. 211
> Bar Ilan University, Ramat Gan, 5290002, ISRAEL
>
> Mobile: +91-9815988501 <098159%2088501> (India, watts app only)
> +972-584553434 <+972%2058-455-3434> (Israel number)
>
--
Thanks & Warm Regards
Malkeet S. Bahia, PhD
Post Doctoral Fellow at the lab of Prof. Hanoch Senderowitz
PBC Indo-Israel Post-doc fellowship
Dept. of Chemistry, Building 211, Room no. 211
Bar Ilan University, Ramat Gan, 5290002, ISRAEL
Mobile: +91-9815988501 (India, watts app only)
+972-584553434 (Israel number)
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Received on Wed Mar 14 2018 - 08:00:01 PDT
