AMBER Archive (2006)

Subject: Re: AMBER: Compile AMBER 8

From: Esther Brugger (esther_brugger_at_yahoo.com)
Date: Fri Oct 27 2006 - 13:21:13 CDT

Dear Mark,
 
 Thanks a lot for your help! It is really helpful. But I still have some problems to compile the program succefully.
 
 I download Intel C (9.0.032) and Fortran (9.0.033) and install them again. Set the
envirment as: source /opt/intel/cc/9.0/bin/iccvars.sh
                      source /opt/intel/fc/9.0/bin/ifortvars.sh
 "./configure -ifort" to get config.h file. In the config.h file, I change "gcc" and "g++" into "icc", and also add "-no-ipo" in the following:
 LOADCC= icc -no-ipo $(LOCALFLAGS) $(AMBERBUILDFLAGS)
 
 After "make serial", it shows at the end:
 
 .........................
 makeDIST_RST.c(922): warning #181: argument is incompatible with corresponding format string conversion
                         sscanf(argv[i],"%d",imix);
                                             ^
 
 icc -no-ipo -o makeDIST_RST makeDIST_RST.o -lm
 ld: cannot find -lgcc_s_32
 make[2]: *** [makeDIST_RST] Error 1
 make[2]: Leaving directory `/home/Esther/amber/amber8/src/nmr_aux/prepare_input'
 make[1]: *** [install] Error 2
 make[1]: Leaving directory `/home/Esther/amber/amber8/src/nmr_aux'
 make: *** [serial] Error 2
 
 Do you know what the problem is? Thank you very much!
 
 Best regards,
 
 Esther
 
Mark Williamson <Mark.Williamson_at_imperial.ac.uk> wrote: Esther Brugger wrote:
> new2oldparm.f > _new2 oldparm.f
> ifort -c -w95 -mp1 -O0 -o new2oldparm.o _new2oldparm.f
> cpp -traditional -P -I/home/Esther/amber/amber8/src/include nxtsec.f >
> _nxtsec.f
> ifort -c -w95 -mp1 -O0 -o nxtsec.o _nxtsec.f
> ifort -o new2oldparm new2oldparm.o nxtsec.o
> IPO link: can not find "("

Hi Esther,

Looks like a compiler issue; Intel seem to have some advice on this:

http://www.intel.com/support/performancetools/c/linux/sb/CS-021695.htm

Looks like you need to upgrade your compiler; I'd recommend 9.0.033 . If
this does not solve it, reply back and see if we can troubleshoot it
further.

regards,

Mark

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