[CP2K:10050] compile cp2k with gcc/6.2.0 and openmpi/gcc/6.2.0/3.0.0

[Fernan Saiz]

Hi Alfio,
Many thanks for your message. If type mpif90 --showme:link, the screen
prompts:

-pthread -I/apps/openmpi/gcc/6.2.0/3.0.0/lib -Wl,-rpath
-Wl,/apps/openmpi/gcc/6.2.0/3.0.0/lib -Wl,--enable-new-dtags
-L/apps/openmpi/gcc/6.2.0/3.0.0/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr
-lmpi_mpifh -lmpi

For completeness, I am showing also the distribution information of my Unix
cluster:

Red Hat Enterprise Linux Server release 6.9

Thanks again,

- Fernan

On Thu, Mar 1, 2018 at 12:38 PM, Alfio Lazzaro <alfio.... at gmail.com>
wrote:

> Hello Fernan,
> I'm not sure why the mpiwrapper cannot find the library...
> What do you get from:
>
> mpif90 --showme:link
>
> ? I assume that you should have the path to the MPI libraries and
> -lmpi_usempif08. For instance, my case I have:
>
> -pthread -I/sw/build/openSUSE/13.1/para/openmpi/openmpi-2.0.1_gcc-5.3.0/lib64
> -Wl,-rpath -Wl,/sw/build/openSUSE/13.1/para/openmpi/openmpi-2.0.1_gcc-5.3.0/lib64
> -Wl,--enable-new-dtags -L/sw/build/openSUSE/13.1/
> para/openmpi/openmpi-2.0.1_gcc-5.3.0/lib64 -lmpi_usempif08
> -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi
>
> You cannot directly link the library since the MPI wrapper does that for
> you. I wonder if the problem is in the dynamic/static linking...
>
> Alfio
>
>
> Il giorno giovedì 1 marzo 2018 13:20:09 UTC+1, Fernan Saiz ha scritto:
>>
>> Hi,
>> I did try to link it but I got the error:
>> /usr/bin/ld: attempted static link of dynamic object
>> `/apps/openmpi/gcc/6.2.0/3.0.0/lib/libmpi_usempif08.so'
>>
>> I also tried to link the library
>> /usr/bin/ld: attempted static link of dynamic object
>> `/apps/openmpi/gcc/6.2.0/3.0.0/lib/libmpi_usempif08.la'
>> but I got the following error:
>> /apps/openmpi/gcc/6.2.0/3.0.0/lib/libmpi_usempif08.la: file not
>> recognized: File format not recognized
>>
>> Thanks,
>>
>>
>> - Fernan
>>
>> On Thu, Mar 1, 2018 at 12:10 PM, Jerry Tanoury <jerr... at gmail.com>
>> wrote:
>>
>>> It seems you have commented out your LIB path $(MPI_LIB)/libmpi_usempif08.so,
>>> so CP2K is not seeing the library path to libmpi_usempif08.so
>>>
>>> Best,
>>> Jerry
>>>
>>> On Thu, Mar 1, 2018 at 7:01 AM, Fernan Saiz <fsa... at gmail.com> wrote:
>>>
>>>> Hi all,
>>>> I am trying to compile cp2k with gcc/6.2.0 and openmpi/gcc/6.2.0/3.0.0.
>>>> However, my compilation stops with error /usr/bin/ld: cannot find
>>>> -lmpi_usempif08 as shown in the attached file log_compile.txt. I have load
>>>> the modules gcc/6.2.0 and openmpi/gcc/6.2.0/3.0.0 and the library
>>>> libmpi_usempif08.a shows in the path lib of the opempi compiler. I also
>>>> attach my arch.make file. Any help is much appreciated.
>>>>
>>>> Best regards,
>>>>  - Fernan Saiz, PhD
>>>> Department of Chemistry
>>>> Imperial College London
>>>>
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