Re: [AMBER] trouble installing Amber 10

From: Jennifer L. Muzyka <>
Date: Wed, 22 Jun 2011 15:06:09 +0000

Sorry. We're using a Mac running Mac OSX (10.5). We have been unable to install gfortran from MacPorts. We have a version of gfortran within gcc45, but we don't see gcc listed as an option when we run "./configure_amber -help".

Apparently we weren't in the src directory when we typed that command. We ran "./configure_amber" using gfortran instead. Then we successfully ran "make clean" and then "make serial" from within the src directory and got this error message:
C31735:src ilma$ make serial
Starting installation of Amber10 (serial) at Wed Jun 22 10:55:42 EDT 2011.
cd lib && make install
cpp -traditional -P -xassembler-with-cpp -Dsecond=ambsecond -DBINTRAJ new2oldparm.f > _new2oldparm.f
gfortran -c -O0 -fno-range-check -fno-second-underscore -o new2oldparm.o _new2oldparm.f
cpp -traditional -P -xassembler-with-cpp -Dsecond=ambsecond -DBINTRAJ nxtsec.f > _nxtsec.f
gfortran -c -O0 -fno-range-check -fno-second-underscore -o nxtsec.o _nxtsec.f
gfortran -o new2oldparm new2oldparm.o nxtsec.o
mv new2oldparm ../../exe
/bin/rm _*.f
cd addles && make install
cpp -traditional -P -xassembler-with-cpp -Dsecond=ambsecond -DBINTRAJ lesmain.f > _lesmain.f
lesmain.f:650:0: error: detected recursion whilst expanding macro "vector"
make[1]: *** [lesmain.o] Error 1
make: *** [serial] Error 2
C31735:src ilma$

We've seen this error previously and haven't been able to find any suggestions in the archive about solving this problem. We'd appreciate any advice you can offer.

On Jun 22, 2011, at 9:41 AM, David A Case wrote:

On Wed, Jun 22, 2011, Jennifer L. Muzyka wrote:

When we run "make clean," we get this error message.
C31735:amber10 ilma$ make clean
make: *** No rule to make target `clean'. Stop.

What directory are you in when you type this command? Is there a file called
"Makefile" in the directory you are in? Is there a "config_amber.h" file?

C31735:amber10 ilma$
We had a similar message when we tried "make serial." Do you need to
see the errors when we did the "./configure_amber g95"? It took several
tries before that ran successfully.

We do need more information, including the exact error messages (don't just
say "similar"). If the configure step doesn't work, that needs
to be fixed. "g95" is not much used anymore, so if you have trouble with it,
replacing that flag with "gfortran" might help. But, at base, I don't
understand how you could be getting the error messages you report.
Also, let us know what OS you are using.


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Jennifer L. Muzyka
Professor of Chemistry
Centre College
600 West Walnut Street
Danville, KY 40422<>

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Received on Wed Jun 22 2011 - 08:30:03 PDT
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