I am trying to carry out QM/MM calculation using CHARMM.But I met several problem when compile CHARMM.

I downloaded the GAMESS from "http://www.msg.ameslab.gov/GAMESS/GAMESS.html". It is released on May 19, 2004. Following the installation procedure described in gamess.doc (CHARMM document), I did:

1. copy all the file in "gamess/source" to "charmm/source/gamint/gamess"
there is a folder named "gamint" before I did this, but there is not "gamess", so I created the folder "gamess"
two files exist in the existing "gamint", they are "blur.src" and "ddi.src", I left them unchanged there.
2. set "KCHRMM=1" in "gamess.src"
3. change "PROGRAM GAMESS" in "gamess.src" to "SUBROUTINE GAMESS"
4. change "STOP" in "gamess.src" to "RETURN"
5. delete subroutines "CHGMIU" and "CHMDAT" in "iolib.src" by adding a "c" in the beginning of each line ( make them comments).
6. set "MACHRM" to 25120 in all parameter definitions fond in source files "gamess", "grd1", "inputb", "inputc", "int1" and "qrel". ( This last file is not mentioned in the document)

I think the source files have been compiled successfully to object files, but some mistake happened when the complier trying to link the object files. The error information is like this:


----------------
xlf -o charmm.exe /project/mcprot/zhangy/c30a1/lib/ibmrs/*.o /project/mcprot/zhangy/c30a1/lib/ibmrs/adumb.
a /project/mcprot/zhangy/c30a1/lib/ibmrs/flucq.a /project/mcprot/zhangy/c30a1/lib/ibmrs/cadint.a /project/mcpro
t/zhangy/c30a1/lib/ibmrs/cff.a /project/mcprot/zhangy/c30a1/lib/ibmrs/correl.a /project/mcprot/zhangy/c30a1/lib/
ibmrs/dimb.a /project/mcprot/zhangy/c30a1/lib/ibmrs/dynamc.a /project/mcprot/zhangy/c30a1/lib/ibmrs/energy.a /p
roject/mcprot/zhangy/c30a1/lib/ibmrs/gamint.a /project/mcprot/zhangy/c30a1/lib/ibmrs/gener.a /project/mcprot/zha
ngy/c30a1/lib/ibmrs/gukint.a /project/mcprot/zhangy/c30a1/lib/ibmrs/image.a /project/mcprot/zhangy/c30a1/lib/ibm
rs/io.a /project/mcprot/zhangy/c30a1/lib/ibmrs/machdep.a /project/mcprot/zhangy/c30a1/lib/ibmrs/manip.a /projec
t/mcprot/zhangy/c30a1/lib/ibmrs/mbond.a /project/mcprot/zhangy/c30a1/lib/ibmrs/mc.a /project/mcprot/zhangy/c30a1
/lib/ibmrs/minmiz.a /project/mcprot/zhangy/c30a1/lib/ibmrs/misc.a /project/mcprot/zhangy/c30a1/lib/ibmrs/mmff.a
/project/mcprot/zhangy/c30a1/lib/ibmrs/molvib.a /project/mcprot/zhangy/c30a1/lib/ibmrs/nbonds.a /project/mcprot
/zhangy/c30a1/lib/ibmrs/pert.a /project/mcprot/zhangy/c30a1/lib/ibmrs/quantum.a /project/mcprot/zhangy/c30a1/lib
/ibmrs/rxncor.a /project/mcprot/zhangy/c30a1/lib/ibmrs/shapes.a /project/mcprot/zhangy/c30a1/lib/ibmrs/solvation
.a /project/mcprot/zhangy/c30a1/lib/ibmrs/util.a /project/mcprot/zhangy/c30a1/lib/ibmrs/vibran.a
ld: 0711-317 ERROR: Undefined symbol: .errt
ld: 0711-317 ERROR: Undefined symbol: .errf
ld: 0711-317 ERROR: Undefined symbol: .gamess
ld: 0711-317 ERROR: Undefined symbol: .dnrm2
ld: 0711-345 Use the -bloadmap or -bnoquiet option to obtain more information.
make: 1254-004 The error code from the last command is 8.


Stop.
---------------------------------

It seems that the first three errors are related to gukint.a. And tell from the file name, can I say it is related to GAMESS-UK? While "DNRM2" appears in minmize/tnpack.src, moldyn/dsvdc.f and some gamess code.
Did anybody have this kind of experience? How can I remedy this problem? The charmm I am using is version "c30a1".

Thank you very much.

Yong