[gmx-users] RE: gmx-users Digest, Vol 85, Issue 53

Mark Abraham Mark.Abraham at anu.edu.au
Mon May 9 07:47:55 CEST 2011

On 9/05/2011 9:10 AM, Ryan S Davis (rsdavis1) wrote:
> I am not sure if I replied to this thread correctly, but anyway.

Please use a relevant subject line.

> I tried the things you guys suggested, but I still cant get it to work.
> You were right $HOME does have a slash in front but I am not actually using that variable, just used it in the mailing list for convience, sorry.

Copy and paste of actual terminal sessions is always preferable. 
Computers are literal, and troubleshooting things filtered through 
people's heads usually wastes time.

> I reinstalled the libraries, just to make sure everything went well.
> So, here is what happens when I list out the library tree from my home directory and try to run the test code
> $ ls -R /home/rsdavis1/apps/xdrfile/
>          /home/rsdavis1/apps/xdrfile/:
>          bin  include  lib
>          /home/rsdavis1/apps/xdrfile/bin:
>          trr2xtc
>          /home/rsdavis1/apps/xdrfile/include:
>          xdrfile
>          /home/rsdavis1/apps/xdrfile/include/xdrfile:
>          xdrfile.h  xdrfile_trr.h  xdrfile_xtc.h
>          /home/rsdavis1/apps/xdrfile/lib:
>          libxdrfile.a  libxdrfile.la
> $
> $
> $ icpc   -I/home/rsdavis1/apps/xdrfile/include/xdrfile/   -L/home/rsdavis1/apps/xdrfile/lib/   test.cpp   -lxdrfile
>           /tmp/icpcUuD5jZ.o: In function `main':
>           test.cpp:(.text+0x33): undefined reference to `read_xtc_natoms(char*, int*)'
> $

That should work, so long as icpc doesn't need some weird invocation to 
look for non-shared libraries. Try


instead of -lxdrfile


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