[AMBER-Developers] mm-pbsa undefined reference to dpotrs_

From: Andreas Goetz <agoetz.sdsc.edu>
Date: Sun, 28 Feb 2010 15:12:14 -0800

Hi, can someone fix this? Thanks!
I guess $AMBERHOME/src/lapack just has the routines that are actually used by Amber and it is missing dpotrs while dpotrs is present in $AMBERHOME/src/clapack. I just don't want to mess up stuff I didn't touch otherwise I would add dpotrs.f from netlib.

agoetz.gecko:~> gcc --version
gcc (SUSE Linux) 4.4.1 [gcc-4_4-branch revision 150839]
agoetz.gecko:~/sources/AMBER/amber11.gnu/src> cvs -q up -d
agoetz.gecko:~/sources/AMBER/amber11.gnu/src> make -f Makefile_at clean; make clean
agoetz.gecko:~/sources/AMBER/amber11.gnu/src>./configure gnu
agoetz.gecko:~/sources/AMBER/amber11.gnu/src>make -f Makefile_at
a - dstqrb.o
a - dsarpack.o
ranlib arpack.a
mv arpack.a /home/agoetz/sources/AMBER/amber11.gnu/lib
make[2]: Leaving directory `/server-home/agoetz/sources/AMBER/amber11.gnu/src/arpack'
gfortran -o nmode nmode.o alloc.o angl.o assert.o bond.o bresna.o cdiv.o chck.o chdir.o chlamba.o debug.o decomp.o difang.o difbon.o dihdup.o dihed.o dirch.o dsort.o eigout.o ephi.o eprnt.o errstp.o findl.o forces.o getcor.o getf.o getm.o getref.o grdmax.o level.o lmdout.o lmode.o makel.o movecm.o mweight.o mweit.o new_stuff.o nmdfil.o nonbon.o nonbon1.o norm.o norml.o nrch.o oseen.o pairr.o pairw.o percon.o pload.o putvar.o rdinp.o rdparm.o remrot.o resdis.o savec.o savei.o savet.o setang.o setatm.o setbon.o setcor.o setdih.o setgam.o setgr.o setvar.o spsort.o thermo.o timit.o traco.o tsearch.o tstate.o xconst.o zerout.o zxcgr.o mexit.o ../lib/rfree.o ../lib/matinv.o ../lib/nxtsec.o ../lib/amopen.o ../lib/rgroup.o \
                ../lib/sys.a /home/agoetz/sources/AMBER/amber11.gnu/lib/arpack.a /home/agoetz/sources/AMBER/amber11.gnu/lib/lapack.a /home/agoetz/sources/AMBER/amber11.gnu/lib/blas.a
/bin/mv nmode /home/agoetz/sources/AMBER/amber11.gnu/bin
make[1]: Leaving directory `/server-home/agoetz/sources/AMBER/amber11.gnu/src/nmode'
cd mm_pbsa && make install
make[1]: Entering directory `/server-home/agoetz/sources/AMBER/amber11.gnu/src/mm_pbsa'
/home/agoetz/sources/AMBER/amber11.gnu/bin/nab -o mm_pbsa_nabnmode mm_pbsa_nabnmode.nab
/home/agoetz/sources/AMBER/amber11.gnu/lib/libnab.a(nmode.o): In function `diagonchol':
nmode.c:(.text+0x1393): undefined reference to `dpotrs_'
collect2: ld returned 1 exit status
cc failed!
make[1]: *** [mm_pbsa_nabnmode] Error 1
make[1]: Leaving directory `/server-home/agoetz/sources/AMBER/amber11.gnu/src/mm_pbsa'
make: *** [serial] Error 2

All the best,

Dr. Andreas W. Goetz
San Diego Supercomputer Center
Tel  : +1-858-822-4771
Email: agoetz.sdsc.edu
Web  : www.awgoetz.de
AMBER-Developers mailing list
Received on Sun Feb 28 2010 - 15:30:03 PST
Custom Search