Graham Kettlewell wrote:
Hi Justin,
I thought I might stop clogging the other people's inboxes, and mail you
directly.
It's better to keep things on the list. I don't necessarily have a final
solution; maybe someone else will!
I tried installing only the double precision version, and
Graham Kettlewell wrote:
-Original Message-
From: gmx-users-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org] On
Behalf Of Justin A. Lemkul
Sent: Tuesday, 30 June 2009 1:57 PM
To: Gromacs Users' List
Subject: Re: [gmx-users] Installation with non standard location of
-Original Message-
From: gmx-users-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org] On
Behalf Of Justin A. Lemkul
Sent: Tuesday, 30 June 2009 1:57 PM
To: Gromacs Users' List
Subject: Re: [gmx-users] Installation with non standard location of fftw3
Graham Kettlewell
Behalf Of Justin A. Lemkul
Sent: Tuesday, 30 June 2009 1:25 PM
To: jalem...@vt.edu; Discussion list for GROMACS users
Subject: Re: [gmx-users] Installation with non standard location of fftw3
Justin A. Lemkul wrote:
-sh-3.2$ export CPPFLAGS=-I/hpc/software/packages/chemistry/fftw/include
-sh-3.2
Subject: Re: [gmx-users] Installation with non standard location of fftw3
Justin A. Lemkul wrote:
>> -sh-3.2$ export CPPFLAGS=-I/hpc/software/packages/chemistry/fftw/include
>> -sh-3.2$ export LDFLAGS=-I/hpc/software/packages/chemistry/fftw/lib
>>
>
> You want this li
Justin A. Lemkul wrote:
-sh-3.2$ export CPPFLAGS=-I/hpc/software/packages/chemistry/fftw/include
-sh-3.2$ export LDFLAGS=-I/hpc/software/packages/chemistry/fftw/lib
You want this line to contain -L, not -I.
That may have been a bit unclear; the LDFLAGS line should use -L, your CPPFLAGS
l
Graham Kettlewell wrote:
Hi,
I have to install gromacs on a 30 node cluster computer. I only have access to
a specific space on the cluster, and it didn't have fftw3 installed on it. I
have installed it, and set the CPPFLAGS and LDFLAGS environment variables as
per instructions. The include
Hi,
I have to install gromacs on a 30 node cluster computer. I only have access to
a specific space on the cluster, and it didn't have fftw3 installed on it. I
have installed it, and set the CPPFLAGS and LDFLAGS environment variables as
per instructions. The include and lib directories exist, a
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