Re: [AMBER] Conflict between AmberTools 1.5 and Cuda

From: Jan-Philip Gehrcke <>
Date: Sat, 24 Mar 2012 13:23:38 +0100


You should install both gcc and gfortran using the package manager of
your linux distribution.

These compilers are "native" to your distribution and they are also both
from the same branch (e.g. 4.4). It looks like in your current setup you
use a mixture of "native" and "self-built" compilers.

On Ubuntu, you could do something like

apt-get install build-essential
apt-get install gfortran

After this, the "native" gcc and gfortran are installed in your system.
For other distributions, you have to find the analogue way. If you do
not manage to find this way, you have to tell us which linux
distribution you are using.

In order to use those native compilers, your PATH and LD_LIBRARY_PATH
environment variables must not be prepended with directories
corresponding to any non-native/self-built compilers on your system.


On 03/24/2012 12:26 PM, Adam Jion wrote:
> Yes, you're right.
> I'm compiling CUDA using a 4.4 C/C++ compiler but a 4.6 fortran compiler.
> But is this the reason?
> Does anyone know how to change the fortran compiler to a 4.4 compiler?
> For some reason changing the gcc version changes the C/C++ compilers but not the Fortran compilers.
> Regards.
> Adam
> ________________________________
> From: David A Case<>
> To: Adam Jion<>; AMBER Mailing List<>
> Sent: Saturday, March 24, 2012 2:11 AM
> Subject: Re: [AMBER] Conflict between AmberTools 1.5 and Cuda
> On Fri, Mar 23, 2012, Adam Jion wrote:
>> However, when I compile using gcc-4.4.6, I get the error of :
>> /usr/bin/ld: cannot find -lgfortran
> Sounds like you don't have version 4.4.6 of gfortran installed (or installed
> correctly). You need to have equivlaent releases of gcc and gfortran (and
> g++) available.
> What does "gfortran -v" return? (Not sure why the configure script is not
> printing this out....)
> ...dac
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Received on Sat Mar 24 2012 - 05:30:03 PDT
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