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

[Alfio Lazzaro]

Good, the output is pretty similar to mine. Then, the next question is: 
which libraries are at /apps/openmpi/gcc/6.2.0/3.0.0/lib. Do you have the 
static library:

/apps/openmpi/gcc/6.2.0/3.0.0/lib/libmpi_usempif08.a

?

My guess is that your OpenMPI version was not configured to have static 
libraries 
(see https://www.open-mpi.org/faq/?category=mpi-apps#static-mpi-apps), 
therefore you have to link dynamically. If so, you can just remove -static 
in your arch file (LDFLAGS).

Alfio


Il giorno giovedì 1 marzo 2018 13:49:53 UTC+1, Fernan Saiz ha scritto:
>
> 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 <alfi... at gmail.com 
> <javascript:>> 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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