I tried compiling it on an itanium system. The netcdf configure failed, which wasn't an issue for this location, and I did get a config.h file (yay!) from which I could delete compiler options as often required for ia64.
But, I got the following. I'm guessing that if the netcdf config failed, then ptraj shouldn't be using netcdf stuff? I'm not asking for significant ia64 support here if that's what's required.
ranlib f2c.a
mv f2c.a /usr/local/programs/amber/amber11_AT_20091207/lib
make[2]: Leaving directory `/usr/local/programs/amber/amber11_AT_20091207/src/f2c'
gcc -c -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -o main.o main.c
In file included from ptraj.h:69,
from main.c:114:
utility.h:47:38: error: ../netcdf/include/netcdf.h: No such file or directory
make[1]: *** [main.o] Error 1
make[1]: Leaving directory `/usr/local/programs/amber/amber11_AT_20091207/src/ptraj'
make: *** [serial] Error 2
For the curious:
Linux glycam.ccrc.uga.edu 2.6.9-42.0.3.EL #1 SMP Mon Sep 25 17:14:34 EDT 2006 ia64 ia64 ia64 GNU/Linux
GNU Fortran (GCC) 4.3.1
gcc (GCC) 4.3.1
>From netcdf_config.log:
"
checking for /usr/bin/nm... /usr/bin/nm -B
checking nm flags...
checking for C-equivalent to Fortran routine "SUB"... configure: error: Could not compile conftest.f
"
And, from the config.h file, the following changes were required to get that far:
#OCFLAGS=-O3 -mtune=generic -msse -mfpmath=sse -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ $(AMBERBUILDFLAGS)
OCFLAGS=-O3 -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ $(AMBERBUILDFLAGS)
#FOPTFLAGS= -O3 -mtune=generic -msse -mfpmath=sse $(LOCALFLAGS) $(AMBERBUILDFLAGS)
FOPTFLAGS= -O3 $(LOCALFLAGS) $(AMBERBUILDFLAGS)
:-) Lachele
--
B. Lachele Foley, PhD '92,'02
Assistant Research Scientist
Complex Carbohydrate Research Center, UGA
706-542-0263
lfoley.ccrc.uga.edu
----- Original Message -----
From: case
[mailto:case.biomaps.rutgers.edu]
To: amber-developers.ambermd.org
Sent:
Mon, 07 Dec 2009 09:53:25 -0500
Subject: [AMBER-Developers] latest release
candidate for AmberTools 1.3
> I have placed the current release candidate here:
>
> http://ambermd.org/downloads/AmberTools.04dec09.tar.bz2
>
> I think we are getting close! As usual, it is like pulling teeth to get
> anyone to look at and update the documentation. I may have to just lock
> all developers in a room at the January meeting and require a certain number
> of updates before allowing them out. But please make changes now if you
> can.
> As I have mentioned before, this is an excellent opportunity for students
> and post-docs to gain some recognition outside their own group by
> contributing
> to a common project.
>
> ...thx...dac
>
>
> _______________________________________________
> AMBER-Developers mailing list
> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
>
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Received on Mon Dec 07 2009 - 13:30:02 PST
