Dear Amber users,
I try to compile Amber 4.1 with gcc 2.95.4 under
Debian Linux 2.2.19 on a AMD monoprocessor 1.4 GHz.
Compilation seems to work.
PREP works OK
LINK return segmentation faults and empty output files
EDIT return program error
PARM return program error
SANDER seems to work
Here is a copy of the MACHINE file i used for
compilation:
--------------------------------------------------------------------------------
#
setenv MACHINE "linux"
setenv MACH Linux
setenv MACHINEFLAGS "-DISTAR2 -DREGNML "
# CPP is the cpp for this machine
setenv CPP "/lib/cpp -traditional "
setenv CC gcc
# SYSDIR is the name of the system-specific source directory relative to
src/*/
setenv SYSDIR Machine/g77
# COMPILER ALIASES:
# LOADER/LINKER:
setenv LOAD "g77 -O6"
setenv LOADLIB "-lm"
setenv G77_COMPAT "-fno-globals -ff90 -funix-intrinsics-hide"
#
# following seems to actually slow down code, though it works well on
CHARMM:
#setenv G77_OPT "-O6 -m486 -malign-double -ffast-math -fomit-frame-pointer
-funroll-loops -funroll-all-loops
-mcpu=pentiumpro -march=pentiumpro -ffloat-store -fforce-mem
-frerun-cse-after-loop -fexpensive-optimizations
-fugly-complex"
# following appears to be the best we have found so far:
setenv G77_OPT "-O3 -m486 -malign-double -ffast-math -fomit-frame-pointer"
# little or no optimization:
setenv L0 "g77 -c -g"
# modest optimization (local scalar):
setenv L1 "g77 -c $G77_OPT $G77_COMPAT"
# high scalar optimization (but not vectorization):
setenv L2 "g77 -c $G77_OPT $G77_COMPAT"
# high optimization (may be vectorization, not parallelization):
setenv L3 "g77 -c $G77_OPT $G77_COMPAT"
# ranlib, if it exists
setenv RANLIB ranlib
--------------------------------------------------------------------------------
If somebody could help me ...
Thanks in advance
Fabrice
============================================
Fabrice YERLY
Institut de Chimie Minerale & Analytique
EPFL-BCH CH-1015 Lausanne
Phone +41 21 693 9881
Fax +41 21 693 9855
Fabrice.Yerly_at_epfl.ch
http://pcbch3207h.unil.ch/~fyerly/index.html
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Received on Wed Nov 21 2001 - 08:18:59 PST
