AMBER Archive (2004)

Subject: Re: AMBER: Problem compiling amber7

From: Viktor Hornak (
Date: Tue May 25 2004 - 07:20:40 CDT

Dear Miguel,

the MACHINE file from amber7 distribution (which I think you are using)
may not be up to date with respect to intel compilers. As far as I can
see PEPCF90 library is no longer used with version 8 of Intel compilers.
I suggest you grab the following MACHINE file:
and try it instead (you can just put it into your $AMBERHOME/src
directory and create a link to it: ln -s Machine.ifort_mpich MACHINE;
then 'make clean' and 'make'). Also, remember to apply bugfix.1 to you
amber7 sources.


Miguel wrote:

> Dear Viktor and amber,
> I got the Intel Fortran Compiler 8.0 fot compiling amber7 under SuSE 9.0, but it seems it's lacking something (I got the noncommercial version of ifc). When I make install, i got:
>cd lib; make install
>make[1]: Entering directory `/usr/local/amber7/src/lib'
>../Compile L0 -P -DNEWPARM nxtsec.f
>cat nxtsec.f | /lib/cpp -traditional -P -DNEWPARM -DLinux -DMEM_ALLOC > _nxtsec_.f
>ifc -c -w -O2 _nxtsec_.f
>../Compile LOAD -o new2oldparm new2oldparm.o nxtsec.o
>ifc -o new2oldparm new2oldparm.o nxtsec.o -lPEPCF90
>/usr/bin/ld: cannot find -lPEPCF90
>make[1]: *** [new2oldparm] Error 1
>make[1]: Leaving directory `/usr/local/amber7/src/lib'
>make: *** [install] Error 2
> Where can I get this lPEPCF90? When I used ift 7.0 it located it, but the problem was just with it...
> Thank you,
>Viktor Hornak <> wrote:
>>Dear Miguel,
>>I would try version 8.0 of Intel compilers with more recent linux
>>distributions (such as Suse 9.0). Version 7.0 didn't support newer glibc
>>libraries, which might be the reason you could compile in Suse 8.0 but
>>not in 9.0. That said, I was able to successfully compile amber7 (and
>>parallel sander passed all the tests) on Suse 9.0 using Intel fortran
>>compilers version 8.0 and mpich- I was using the Machine file
>>from the following amber page under RedHat 9 or Suse 8.2 sections:
>>Hope this helps,
>>Miguel wrote:
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