AMBER Archive (2008)

Subject: AMBER: Amber 9 installation problems

From: drugdesign (drugdesign_at_yandex.ru)
Date: Mon Nov 10 2008 - 05:27:39 CST


Dear Amber community,
I have problems in installation of Amber 9 on OpenSuse 11, 64 bit system.

I have unpacked amber9 -> I've applied all bugfixes for amber9 -> set up an environment (bashrc is in the attachment).
Then I've tried to configure Amber 9 with g95 and ifort (each time removing amber 9 folder before new installation).
g95 was installed according to instruction with link ln -s $PWD/g95-install/bin/i686-pc-linux-gnu-g95 /usr/bin/g95 and also making source in bashrc file. For ifort I've also have written source in bashrc.
 User evironment was used for amber9 installation under /su user.

1) in case of g95 i get an error after "./configure g95" and "make serial":
linux-yalu:/usr/local/TESTAMBER/amber9/src # make serial
Starting installation of Amber9 (serial) at Thu Aug 28 18:32:14 EEST 2008.
cd lib; make install
make[1]: Entering directory `/usr/local/TESTAMBER/amber9/src/lib'
cpp -traditional -P -xassembler-with-cpp new2oldparm.f > _new2oldparm.f
g95 -c -O0 -fno-second-underscore -march=nocona -o new2oldparm.o _new2oldparm.f
/tmp/cculsjxO.s: Assembler messages:
/tmp/cculsjxO.s:138: Error: suffix or operands invalid for `push'
/tmp/cculsjxO.s:140: Error: suffix or operands invalid for `push'
/tmp/cculsjxO.s:7440: Error: suffix or operands invalid for `pop'
/tmp/cculsjxO.s:7441: Error: suffix or operands invalid for `pop'
make[1]: *** [new2oldparm.o] Error 1
make[1]: Leaving directory `/usr/local/TESTAMBER/amber9/src/lib'
make: *** [serial] Error 2

2)in case of ifort afeter ./configure -p4 -static ifort_x86_64 and "make serial" I get an error:

ifort -static -o nucgen nucgen.o ngfil.o ../lib/amopen.o ../lib/mexit.o ../lib/nxtsec.o
g++ -c -o elsize.o elsize.cc
elsize.cc: In function ‘int main(int, char**)’:
elsize.cc:117: error: ‘exit’ was not declared in this scope
elsize.cc:124: error: ‘strcmp’ was not declared in this scope
elsize.cc:145: error: ‘strcmp’ was not declared in this scope
elsize.cc:160: error: ‘calloc’ was not declared in this scope
elsize.cc:171: error: ‘exit’ was not declared in this scope
elsize.cc:233: error: ‘exit’ was not declared in this scope
elsize.cc:295: error: ‘exit’ was not declared in this scope
elsize.cc:339: error: ‘exit’ was not declared in this scope
elsize.cc: In function ‘atom_count GetNumberOfAtoms(const char*, int)’:
elsize.cc:504: error: ‘exit’ was not declared in this scope
elsize.cc: In function ‘atom_count ReadAtomicCoordinates(const char*, int, atom_count, double*, double*, double*, double*,

double*)’:
elsize.cc:565: error: ‘exit’ was not declared in this scope
make[1]: *** [elsize.o] Error 1
make[1]: Leaving directory `/usr/local/amber9/src/etc'
make: *** [serial] Error 2



  • application/octet-stream attachment: .bashrc
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