VMD-L Mailing List

From: Fiona Reid (fiona_at_epcc.ed.ac.uk)
Date: Thu Oct 20 2005 - 04:13:27 CDT

Dear VMD users,

I'm attempting to install CATDCD on an IBM p690+ running AIX 5.2.

I understand that in order to compile CATDCD I need to install
the VMD plugins as CATDCD links with (amongst other things)
libmolfile_plugin.a

When attempting to install the VMD plugins I run into problems with
missing math symbols, e.g.

export TCLINC=-I/usr/include
export TCLLIB=-L/usr/lib
gmake AIX5_64_hpcxtcl TCLINC=$TCLINC TCLLIB=$TCLLIB/lib_AIX5_64_hpcxtcl
Building Molecule File Reader plugins
"src/gromacsplugin.C", line 459.22: 1540-0274 (S) The name lookup for
"__sin" did not find a declaration.
"src/gromacsplugin.C", line 460.22: 1540-0274 (S) The name lookup for
"__cos" did not find a declaration.
"src/gromacsplugin.C", line 468.20: 1540-0274 (S) The name lookup for
"__sqrt" did not find a declaration.
"src/Gromacs.h", line 502.7: 1540-0274 (S) The name lookup for "__sqrt"
did not find a declaration.
"src/Gromacs.h", line 516.18: 1540-0274 (S) The name lookup for "__acos"
did not find a declaration.
gmake[2]: *** [../compile/lib_AIX5_64_hpcxtcl/molfile/gromacsplugin.o]
Error 1

Any suggestions? Has any one succeeded in compiling the VMD plugins on
an IBM p690+ running AIX 5.2?

The relevant section from Make-arch is below:
AIX5_64_hpcxtcl:
         $(MAKE) dynlibs staticlibs bins \
         "ARCH = AIX5_64_hpcxtcl" \
         "COPTO = -o " \
         "LOPTO = -o " \
         "CC = xlc" \
         "CXX = xlC" \
         "CCFLAGS = -w -qinlglue -q64 -qarch=pwr4 -qtune=pwr4
-I/usr/include " \
         "CXXFLAGS = -w -qstrict -Q -q64 -qarch=pwr4 -qtune=pwr4
-I/usr/include " \
         "LDFLAGS = -q64 -qarch=pwr4 -qtune=pwr4 -L/usr/lib " \
         "TCLLDFLAGS = -L/usr/lib -ltcl8.3 -L/usr/lib " \
         "NM = nm -B" \
         "RANLIB = touch" \
         "SHLD = xlC -bM:SRE -bnoentry -bexpall -lm -qarch=pwr4
-qtune=pwr4"

Many thanks,

Fiona Reid