[gmx-users] PGI link error: unknown switch --rpath & attempted static link of dynamic object fftw/lib/libfftw3.so

[Justin A. Lemkul]

Yudong Sun wrote:
> Hi Roland,
> 
> CMake works fine for the installation.
> 
> There may be minor typos in the online installation instructions using 
> CMake here http://www.gromacs.org/Developer_Zone/Cmake
> 
> To use single precision FFTW, the two FFTW3 flags should be:
> 
> cmake -D FFTW3F_INCLUDE_DIR=... -D FFTW3F_LIBRARIES=...
> 
> instead of FFTW3_INCLUDE_DIR and FFTW3_LIBRARIES. Otherwise cmake will 
> complain fftw library not found when building single precision libraries.
> 

Fixed on the wiki.  Thanks.

-Justin

> Thanks,
> 
> Yudong
> 
>> Hi,
>>
>> this is a bug in the autoconf version GROMACS is using. Since we are 
>> moving
>> to cmake we are not updating it thus this is an issue which won't be 
>> fixed.
>>
>> There are two options:
>> - Create a folder. Copy (or symlink) the static library into that folder.
>> Point the linker (-L) to that folder. Because your folder only has the
>> static libraries it will work.
>> - Use cmake. For cmake this issue is solved.
> 
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-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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