[CP2K:10047] compile cp2k with gcc/6.2.0 and openmpi/gcc/6.2.0/3.0.0

[Alfio Lazzaro]

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 
> <javascript:>> 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 
>> <javascript:>> 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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