Date: Tue, 6 Mar 2007 15:31:28 +0100
Dear Amber users,
I've been for long working with Amber 5, and now I moved to Amber 9.
Actually, I'm using Linux version 2.4.22 with Red-Hat release 9, mounted on
a Beowulf cluster of 12 nodes with 2 Intel-Xeon (2.8 GHz) per node. By now
I'm interested in running the serial version, and after the installation,
following the procedure wrote on the manual, everything worked seemingly
fine, as all the serial tests worked OK (I'm just talking about testing only
1 node). However, for several reasons I'd like to run sander on Amber 9
using my old files from Amber 5, and hence using topology files that contain
parameters from the "parm91" set. When I tried that, I received a message
for re-compiling sander using the -DHAS_10_12 flag. The problem is that once
I follow the procedure as stated in the manual:
cd $AMBERHOME/src/sander
make clean
make AMBERBUILFLAGS='-DHAS_10_12' sander
The make process is broken with the following message:
...
...
cpp -traditional -P -DHAS_10_12 egb.f > _egb.f
ifort -c -w95 -mp1 -ip -O3 -FR -DHAS_10_12 -o egb.o _egb.f
fortcom: Error: _egb.f, line 1237: This name does not have a type, and must
have an explicit type. [BSOL]
f10 = bsol(-ic)*r10inv
---------------------^
fortcom: Error: _egb.f, line 1238: This name does not have a type, and must
have an explicit type. [ASOL]
f12 = asol(-ic)*r10inv*r2inv
---------------------^
compilation aborted for _egb.f (code 1)
make: *** [egb.o] Error 1
I've been trying to find out where the problem can be; apparently from the
lack of definition of bsol and asol during a given previous compilation
step. I've also checked the Amber Mail Reflector Archive seeking for a
possible answer from any of you, but I haven't been able to figure out how
to proceed.
Could any of you please suggest how to overcome it?
Thank you very much in advance!!
Dr. Jesús Angulo
............................................................................
...........................
Carbohydrate Group. Bio-Organic Department.
Instituto de Investigaciones Químicas (C.S.I.C)
Américo Vespucio, 49; 41092 – Sevilla, Spain
jesus.iiq.csic.es
Phone. +34 954489500 (Ext. 9609)
Fax +34 954460565
<http://www.iiq.cartuja.csic.es/grupocarb/carbohidratos.htm>
http://www.iiq.cartuja.csic.es/grupocarb/carbohidratos.htm
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