AMBER Archive (2008)

Subject: Re: Re: AMBER: Amber10:Compiling with gcc 2.4.1

From: yongleli (yongleli_at_itcc.nju.edu.cn)
Date: Thu May 15 2008 - 21:40:51 CDT

Before compiling, I did typed 'make clean' and 'make -f Makefile_at clean'.
More error informations are like this:

common.c(399): (col. 7) remark: LOOP WAS VECTORIZED.
icc -wd117,177,266,880,1011 -DBINTRAJ translate.o -lm -o translate
icc -wd117,177,266,880,1011 -DBINTRAJ -c -DDATDIR='"/home/yongle/amber10/dat"' -DBINDIR='"/home/yongle/amber10/bin"' top2mol2.c
icc -wd117,177,266,880,1011 -DBINTRAJ top2mol2.o -lm -o top2mol2
sed -e "s?BINDIR?/home/yongle/amber10/bin?" mopac.sh > /home/yongle/amber10/bin/mopac.sh
chmod +x /home/yongle/amber10/bin/mopac.sh
mv -f am1bcc acdoctor antechamber atomtype bondtype charmmgen database espgen parmcal parmchk prepgen residuegen respgen translate top2mol2 /home/yongle/amber10/bin
make[1]: Leaving directory `/home/yongle/amber10/src/antechamber'
(cd mopac6/src && make hasG77 )
make[1]: Entering directory `/home/yongle/amber10/src/mopac6/src'
Makefile:49: warning: overriding commands for target `.f.o'
../../config.h:97: warning: ignoring old commands for target `.f.o'
gfortran -c -O2 -fno-automatic -finit-local-zero -o aababc.o aababc.f
f951: error: unrecognized command line option "-finit-local-zero"
make[1]: *** [aababc.o] Error 1
make[1]: Leaving directory `/home/yongle/amber10/src/mopac6/src'
make: *** [install] Error 2





yongleli
2008-05-16



发件人： Gustavo Seabra
发送时间： 2008-05-16 07:03:37
收件人： amber_at_scripps.edu
抄送：
主题： Re: AMBER: Amber10:Compiling with gcc 2.4.1

> I have compiled Amber10 on Linux OpenSuSE 10.3 system with gcc 2.4.1, and
> failed to finish the compilation of amber-tools.

You don't give us many details, so it is a bit hard to find out what's
going on but, for starters, 2.4.1 is a pretty old version of gcc. I
don't know which problems you are having, but some tools need gcc >=
3.4 to be compiled.

> I changed g77 to gfortran in configure_at, After typed
> 'make -f Makefile_at', the report of compiling of amber-tools
>
> wrttxt.f:(.text+0x3c1): undefined reference to `e_wsfe'
> collect2: ld returned 1 exit status
> make[1]: *** [mopac] Error 1
> make[1]: Leaving directory `/home/yongle/amber10/src/mopac6/src'

This is just a wild guess, but did you issue 'make -f Makefile_at
clean' before trying the 'make' command with a different compiler?

Gustavo
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