Dear Lucian,
You probably don't have the X11 development libraries installed.
XFree86-devel (or xorg-devel in fedora). You need to install the rpm for
this since it contains the x11 development libraries and headers that you
need for xleap.
see: http://amber.ch.ic.ac.uk/archive/200406/0133.html
All the best
Ross
/\
\/
|\oss Walker
| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel:- +1 858 784 8889 | EMail:- ross.rosswalker.co.uk |
|
http://www.rosswalker.co.uk/ | PGP Key available on request |
_____
From: owner-amber.scripps.edu [mailto:owner-amber.scripps.edu] On Behalf Of
lucian livadaru
Sent: 19 November 2004 10:51
To: amber.scripps.edu
Subject: AMBER: amber8 compilation
Hello all,
I have been trying to compile amber8 various machines and with different
compilers and so far no attempt has been completely successfull. The
compilation fails at some point or another.
My latest attempt is a i686 cluster running Linux 2.4.18 -14 smp. I have
installed the latest (8.1) fortran and C++ intel compilers. Following the
instructions in the manual and on the webpage at
http://amber.scripps.edu/cluster_info/index.html, I succeed to partially
compile the package. What seems to systematically fail to compile is xLeap.
I used ./configure -ifort before running the make file.
Could anyone help with this problem? Could anyone email my a zip of the
amber executables compiled for a similar platform?
Thanks!
Here's some additional information about the outcome:
THE EXECUTABLES CREATED ARE:
-rwxrwxr-x 1 ben ben 846944 Nov 19 13:18 addles
-rwxrwxr-x 1 ben ben 49745 Nov 19 13:19 am1bcc
-rwxrwxr-x 1 ben ben 561453 Nov 19 13:19 ambmask
-rwxrwxr-x 1 ben ben 599652 Nov 19 13:19 ambpdb
-rwxrwxr-x 1 ben ben 766546 Nov 19 13:19 anal
-rwxrwxr-x 1 ben ben 121294 Nov 19 13:20 antechamber
-rwxrwxr-x 1 ben ben 89056 Nov 19 13:20 atomtype
-rwxrwxr-x 1 ben ben 119122 Nov 19 13:20 bondtype
-rwxrwxr-x 1 ben ben 4785 Nov 19 13:19 calcpka.pl
-rw-rw-r-- 1 ben ben 24855 Nov 19 13:19 CPin.pm
-rwxrwxr-x 1 ben ben 4641 Nov 19 13:19 cpinutil.pl
-rwxrwxr-x 1 ben ben 58143 Nov 19 13:20 crdgrow
-rwxrwxr-x 1 ben ben 29354 Nov 19 13:20 database
-rwxrwxr-x 1 ben ben 1754657 Nov 19 13:19 divcon
-rwxrwxr-x 1 ben ben 18107 Nov 19 13:20 espgen
-rwxrwxr-x 1 ben ben 594981 Nov 19 13:19 fantasian
-rwxrwxr-x 1 ben ben 504115 Nov 19 13:19 gwh
-rwxr-xr-x 1 ben ben 28803 Nov 19 13:19 makeANG_RST
-rwxr-xr-x 1 ben ben 5955 Nov 19 13:19 makeCHIR_RST
-rwxrwxr-x 1 ben ben 523786 Nov 19 13:19 make_crd_hg
-rwxr-xr-x 1 ben ben 9594 Nov 19 13:19 makeDIP_RST.dna
-rwxr-xr-x 1 ben ben 3316 Nov 19 13:19 makeDIP_RST.protein
-rwxr-xr-x 1 ben ben 32014 Nov 19 13:19 makeDIST_RST
-rwxr-xr-x 1 ben ben 9234 Nov 19 13:19 makeSHF_RST
-rwxrwxr-x 1 ben ben 2146 Nov 19 13:19 mm_pbsa.pl
-rwxrwxr-x 1 ben ben 1036 Nov 19 13:19 mm_pbsa_statistics.pl
-rwxrwxr-x 1 ben ben 89827 Nov 19 13:19 molsurf
-rwxrwxr-x 1 ben ben 496076 Nov 19 13:18 new2oldparm
-rwxrwxr-x 1 ben ben 1170289 Nov 19 13:19 nmode
-rwxrwxr-x 1 ben ben 470939 Nov 19 13:19 nucgen
-rwxrwxr-x 1 ben ben 28977 Nov 19 13:20 parmcal
-rwxrwxr-x 1 ben ben 96811 Nov 19 13:20 parmchk
-rwxrwxr-x 1 ben ben 1399542 Nov 19 13:19 pbsa
-rwxrwxr-x 1 ben ben 491845 Nov 19 13:19 pol_h
-rwxrwxr-x 1 ben ben 71364 Nov 19 13:20 prepgen
-rwxrwxr-x 1 ben ben 507158 Nov 19 13:19 protonate
-rwxrwxr-x 1 ben ben 1110792 Nov 19 13:19 ptraj
-rwxrwxr-x 1 ben ben 1110792 Nov 19 13:19 rdparm
-rw-rw-r-- 1 ben ben 865 Nov 19 13:20 README
-rwxrwxr-x 1 ben ben 594678 Nov 19 13:19 resp
-rwxrwxr-x 1 ben ben 31256 Nov 19 13:20 respgen
-rwxrwxr-x 1 ben ben 2302353 Nov 19 13:18 sander
-rwxrwxr-x 1 ben ben 2316139 Nov 19 13:19 sander.LES
-rwxrwxr-x 1 ben ben 2852310 Nov 19 13:19 sander.QMMM
-rwxrwxr-x 1 ben ben 8304 Nov 19 13:19 senergy
-rwxrwxr-x 1 ben ben 15475 Nov 19 13:19 sviol
-rwxrwxr-x 1 ben ben 2049 Nov 19 13:19 sviol2
-rwxrwxr-x 1 ben ben 615538 Nov 19 13:20 teLeap
-rwxrwxr-x 1 ben ben 348 Nov 19 13:20 tleap
-rwxrwxr-x 1 ben ben 393 Nov 19 13:20 xleap
THE FINAL SCREEN OF THE COMPILATION PROCESS IS:
xaHBondParmTable.c: At top level:
xaHBondParmTable.c:423: parse error before "wCreated"
xaHBondParmTable.c: In function `XAHPTNewPopupTable':
xaHBondParmTable.c:426: `hptPNew' undeclared (first use in this function)
xaHBondParmTable.c:431: parse error before ')' token
xaHBondParmTable.c:431: parse error before ')' token
xaHBondParmTable.c:433: `fCallback' undeclared (first use in this function)
xaHBondParmTable.c:434: `wWidget' undeclared (first use in this function)
xaHBondParmTable.c:435: `psParmSet' undeclared (first use in this function)
xaHBondParmTable.c:440: `wCreated' undeclared (first use in this function)
make[2]: [xaHBondParmTable.o] Error 1 (ignored)
gcc -o xaLeap basics.o sysdepend.o stringExtra.o varArray.o getline.o avl.o
pdb_format.o pdb_read.o pdb_sprntf.o pdb_sscanf.o pdb_write.o vector.o
zMatrix.o sort.o bag.o hash.o dictionary.o database.o nVector.o ring.o
matrix.o fortran.o displayer.o assoc.o atom.o byteArray.o collection.o
container.o internal.o list.o loop.o molecule.o oDouble.o oInteger.o
oString.o objekt.o parmSet.o residue.o unit.o unitio.o tripos.o graphUtil.o
select.o amber.o build.o elements.o library.o chirality.o minimizer.o
model.o parmLib.o pdbFile.o tools.o variables.o parser.o help.o helptext.o
octree.o commands.o mathop.o block.o restraint.o hybrid.o xTank.o xAction.o
x3d.o xBasics.o xaLeapc.o xaUnitEditor.o xaTable.o xaAtomTable.o
XrawRegistr.o xaCommand.o xaTools.o xaAtomParmTable.o xaBondParmTable.o
xaAngleParmTable.o xaParmEditor.o xaTorsionParmTable.o xaImproperParmTable.o
xaHBondParmTable.o ../Xraw/libXaw.a ../Wc/libWcLeap.a ../Xpm/libXpm.a
.../Xmu/libXmu.a -L/usr/X11R6/lib -lXt -lXext -l! SM -lICE -lX11 -lm
-lpthread
gcc: xTank.o: No such file or directory
gcc: xAction.o: No such file or directory
gcc: xBasics.o: No such file or directory
gcc: xaLeapc.o: No such file or directory
gcc: xaUnitEditor.o: No such file or directory
gcc: xaTable.o: No such file or directory
gcc: xaAtomTable.o: No such file or directory
gcc: XrawRegistr.o: No such file or directory
gcc: xaCommand.o: No such file or directory
gcc: xaTools.o: No such file or directory
gcc: xaAtomParmTable.o: No such file or directory
gcc: xaBondParmTable.o: No such file or directory
gcc: xaAngleParmTable.o: No such file or directory
gcc: xaParmEditor.o: No such file or directory
gcc: xaTorsionParmTable.o: No such file or directory
gcc: xaImproperParmTable.o: No such file or directory
gcc: xaHBondParmTable.o: No such file or directory
gcc: ../Xraw/libXaw.a: No such file or directory
gcc: ../Wc/libWcLeap.a: No such file or directory
gcc: ../Xpm/libXpm.a: No such file or directory
gcc: ../Xmu/libXmu.a: No such file or directory
make[2]: [xaLeap] Error 1 (ignored)
m4 xaLeap.rm4 > XaLeap_wcl
gcc -c -I/usr/X11R6/include -O2 -o tLeap.o tLeap.c
gcc -o teLeap basics.o sysdepend.o stringExtra.o varArray.o getline.o avl.o
pdb_format.o pdb_read.o pdb_sprntf.o pdb_sscanf.o pdb_write.o vector.o
zMatrix.o sort.o bag.o hash.o dictionary.o database.o nVector.o ring.o
matrix.o fortran.o displayer.o assoc.o atom.o byteArray.o collection.o
container.o internal.o list.o loop.o molecule.o oDouble.o oInteger.o
oString.o objekt.o parmSet.o residue.o unit.o unitio.o tripos.o graphUtil.o
select.o amber.o build.o elements.o library.o chirality.o minimizer.o
model.o parmLib.o pdbFile.o tools.o variables.o parser.o help.o helptext.o
octree.o commands.o mathop.o block.o restraint.o hybrid.o tLeap.o -lm
mv xaLeap teLeap ../../../../exe
mv: cannot stat `xaLeap': No such file or directory
make[2]: [install] Error 1 (ignored)
mv XaLeap_wcl ../../../../dat
make[2]: Leaving directory `/tmp/usr/ben/lucian/amber8/src/leap/src/leap'
Copying shell scripts
cp xleap tleap ../../exe
Copying pixmaps
mkdir ../../dat/pixmap
( cd pixmap ;\
cp `find . -name CVS -prune -o -type f -print ` ../../../dat/pixmap \
)
Finished with the install of LEaP
make[1]: Leaving directory `/tmp/usr/ben/lucian/amber8/src/leap'
Installation of Amber8 (serial) is complete at Fri Nov 19 13:20:41 EST 2004.
_____
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Received on Fri Nov 19 2004 - 19:53:00 PST
