AMBER:

From: Gustavo Pierdominici Sottile <gsottile.unq.edu.ar>
Date: Mon, 17 May 2004 15:38:53 -0300

Dear list,

I've downloaded RESP from http://amber.scripps.edu/Questions/resp.html
The errors I get when trying to install it, as root user, are:

[root.f10 resp]# cp ../Machine/Machine.linux_g77 ../MACHINE
[root.f10 resp]# make
cd ../lib ; ./Makelist ../lib/mexit.o ../lib/amopen.o ../lib/lapack.o
make[1]: Entering directory `/root/plep/src/lib'
make[1]: `mexit.o' is up to date.
make[1]: Leaving directory `/root/plep/src/lib'
make[1]: Entering directory `/root/plep/src/lib'
make[1]: `amopen.o' is up to date.
make[1]: Leaving directory `/root/plep/src/lib'
make[1]: Entering directory `/root/plep/src/lib'
.../Compile L2 -P -DDPREC -o lapack.o lapack.f
cat lapack.f | /lib/cpp -traditional -I/root/plep/src/lib -P -DDPREC
-Dlinux -DISTAR2 -DHAS_FTN_ERFC > _lapack_.f
g77 -c -O3 -m486 -malign-double -ffast-math -fomit-frame-pointer
-fno-globals -ff90 -funix-intrinsics-hide _lapack_.f
`-m486' is deprecated. Use `-march=i486' or `-mcpu=i486' instead.
make[1]: Leaving directory `/root/plep/src/lib'
SYSDIR=`../sysdir dir` ; echo sysdir is $SYSDIR ; \
                cd $SYSDIR ; make sys.a
sysdir is /root/plep/src/Machine/linux_g77
make[1]: Entering directory `/root/plep/src/Machine/linux_g77'
.../../Compile L1 -P sys.f
cat sys.f | /lib/cpp -traditional -I/root/plep/src/lib -P -Dlinux
-DISTAR2 -DHAS_FTN_ERFC > _sys_.f
g77 -c -O -m486 -malign-double -ffast-math -fomit-frame-pointer
-fno-globals -ff90 -funix-intrinsics-hide _sys_.f
`-m486' is deprecated. Use `-march=i486' or `-mcpu=i486' instead.
ar r sys.a sys.o
.../../Compile RANLIB sys.a
ranlib sys.a
rm -f sys.o
make[1]: Leaving directory `/root/plep/src/Machine/linux_g77'
SYSLIB=`../sysdir lib` ; ../Compile LOAD -o resp \
                resp.o ../lib/mexit.o ../lib/amopen.o ../lib/lapack.o $SYSLIB
g77 -O6 -o resp resp.o ../lib/mexit.o ../lib/amopen.o ../lib/lapack.o
/root/plep/src/Machine/linux_g77/sys.a -lm
resp.o: file not recognized: File format not recognized
collect2: ld returned 1 exit status
make: *** [resp] Error 1

About the file resp.o

[root.f10 resp]# file resp.o
resp.o: COFF format alpha executable not stripped object - version 3.13-6

About the file mexit.o

[root.f10 resp]# file ../lib/mexit.o
.../lib/mexit.o: COFF format alpha executable not stripped object - version
3.13-6

when trying 'make clean' on directory src/resp

[root.f10 resp]# make clean
.../Clean resp
make: ../Clean: Command not found
make: *** [clean] Error 127

in the src directory there is not 'Clean' script.
Also I cannot do a 'make clean' in an upper directory because there is no
Makefile on src directory.

I think I'm downloading a very outdated version of RESP or RESP have to be
compiled together with AMBER, and in that case I will need to download
AMBER. If in the first case, can you point me to an updated version of RESP?

Thanks in advance,

Gustavo


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Received on Mon May 17 2004 - 20:53:00 PDT
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