Re: [AMBER] How to compile amber12 in AIX UNIX?

From: Mengyuan Zhu <>
Date: Wed, 4 Dec 2013 02:55:37 +0000

Thank you!
My configuration: ./configure -nofftw3 -nosse gnu

I deleted pubfft.c file and it showed the same error. I then deleted thermo.c in ptraj folder. It showed:
        cd ../arpack && make
Target "install" is up to date.
        gfortran -DBINTRAJ -c -ffree-form -O3 -I/rc/home/wang/mzhu6/amber12//include -I/rc/home/wang/mzhu6/amber12//include -o thermo.o
gfortran: fatal error: no input files; unwilling to write output files
compilation terminated.
make: 1254-004 The error code from the last command is 1.

From: case<>
Sent: ?Tuesday?, ?December? ?3?, ?2013 ?9?:?23? ?PM

On Tue, Dec 03, 2013, Mengyuan Zhu wrote:
> gfortran -DBINTRAJ -c -ffree-form -O3 -I/rc/home/wang/mzhu6/amber12/include -I/rc/home/wang/mzhu6/amber12/include -o pubfft.o pubfft.c
> pubfft.c:6:24: fatal error: ../f2c/f2c.h: No such file or directory

oooh! This is weird. What options did you give to configure?

Try the following: in $AMBERHOME/AmberTools/src/ptraj, type
"mv pubfft.c pubfft.c~". Then try compiling again. I think that pubfft.c
is a leftover from a long time ago, and should never be needed. It certainly
should not be compiled using gfortran!

Can you also see what the output is from typing "make --version"? I must
admit I can't see how the Makefile in ptraj would lead to the command you list
above, but I hope getting rid of pubfft.c will help.


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Received on Tue Dec 03 2013 - 19:00:04 PST
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