thankyou amir, ali and scott. the problem has been resolved. but now when i run a test for amber , it gives the following error.
make test
(find . -name '*.dif' -o -name 'profile_mpi' | \
while read dif ;\
do \
rm -f $dif ;\
done ;\
)
rm -f TEST_FAILURES.diff
cd dmp && ./Run.dmp
diffing mdout.dmp.save with mdout.dmp
PASSED
==============================================================
cd adenine && ./Run.adenine
diffing mdout.adenine.save with mdout.adenine
PASSED
==============================================================
cd cytosine && ./Run.cytosine
diffing cytosine.out.save with cytosine.out
PASSED
==============================================================
cd nonper && ./Run.nonper
diffing mdout.nonper.save with mdout.nonper
PASSED
==============================================================
cd nonper && ./Run.nonper.belly
diffing mdout.belly.save with mdout.belly
PASSED
==============================================================
cd nonper && ./Run.nonper.belly.mask
diffing mdout.belly.mask.save with mdout.belly.mask
PASSED
==============================================================
cd nonper && ./Run.nonper.min
diffing mdout.min.save with mdout.min
PASSED
==============================================================
cd nonper && ./Run.cap
diffing mdout.cap.save with mdout.cap
PASSED
==============================================================
cd nonper && ./Run.nonper.nocut
diffing mdout.nocut.save with mdout.nocut
PASSED
==============================================================
cd tip4p && ./Run.tip4p
diffing mdout.tip4p.save with mdout.tip4p
PASSED
==============================================================
cd tip4p && ./Run.tip4p_nve
diffing mdout.tip4p_nve.save with mdout.tip4p_nve
PASSED
==============================================================
cd tip5p && ./Run.tip5p
diffing mdout.tip5p.save with mdout.tip5p
PASSED
==============================================================
cd tip5p && ./Run.tip5p_nve
diffing mdout.tip5p_nve.save with mdout.tip5p_nve
PASSED
==============================================================
cd 4096wat && ./Run.pure_wat
diffing mdout.pure_wat.save with mdout.pure_wat
PASSED
==============================================================
cd 4096wat && ./Run.pure_wat_nmr_temp_reg
diffing mdout.pure_wat_nmr_temp.save with mdout.pure_wat_nmr_temp
PASSED
==============================================================
cd 4096wat && ./Run.vrand
diffing mdout.vrand.save with mdout.vrand
PASSED
==============================================================
cd dhfr && ./Run.dhfr
diffing mdout.dhfr.save with mdout.dhfr
PASSED
==============================================================
cd dhfr && ./Run.dhfr.noshake
diffing mdout.dhfr.noshake.save with mdout.dhfr.noshake
PASSED
==============================================================
cd dhfr && ./Run.dhfr.min
diffing mdout.dhfr.min.save with mdout.dhfr.min
PASSED
==============================================================
cd gact_ips && ./Run.ips
diffing mdout.ips.save with mdout.ips
PASSED
==============================================================
cd gact_ips && ./Run.ipsnve
diffing mdout.ipsnve.save with mdout.ipsnve
PASSED
==============================================================
cd gact_ips && ./Run.ips_sgld
diffing mdout.ips_sgld.save with mdout.ips_sgld
PASSED
==============================================================
cd polarizable_water && ./Run.pol_wat
diffing mdout.polwat.save with mdout.polwat
PASSED
==============================================================
cd ubiquitin && ./Run.ubiquitin
diffing mdout.ubiquitin.save with mdout.ubiquitin
PASSED
==============================================================
diffing mden.save with mden
PASSED
==============================================================
diffing mdcrd.save with mdcrd
PASSED
==============================================================
diffing mdvel.save with mdvel
PASSED
==============================================================
cd dna_pol && ./Run.dna_pol
diffing mdout.dna_pol.save with mdout.dna_pol
PASSED
==============================================================
cd trx && ./Run.trx
diffing mdout.trx.save with mdout.trx
PASSED
==============================================================
cd trx && ./Run.trx.cpln
diffing mdout.trx.cpln.save with mdout.trx.cpln
PASSED
==============================================================
cd rdc && ./Run.dip
./Run.dip: Program error
make: *** [test.sander.BASIC] Error 1
> Date: Tue, 26 Jul 2011 13:43:28 +0500
> From: alifar76.gmail.com
> To: amber.ambermd.org
> Subject: Re: [AMBER] problem installing amber 10
>
> Hi Nyla,
>
> I was facing similar problems. As Scott has rightly said, use gfortran
> instead of g95. It should do the trick.
>
> # ./configure_amber –static gfortran <enter>
>
> It will generate Amber configuration file (config_amber.h)
>
> Hope it helps!
>
> Regards,
> Ali A. Faruqi
> Karachi
>
> On Tue, Jul 26, 2011 at 10:33 AM, Nyla Zaman <nyla.zaman.hotmail.com> wrote:
>
> >
> > command:
> > ./configure_amber -static g95
> >
> > error:
> > Setting AMBERHOME to /root/nyla_working/amber10
> >
> > Setting up Amber configuration file for architecture: g95
> > Using parallel communications library: none
> > The MKL_HOME environment variable is not defined.
> >
> > Testing the C compiler:
> > gcc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -O2 -m32 -o testp
> > testp.c
> > OK
> >
> > Testing the Fortran compiler:
> > g95 -O0 -fno-second-underscore -o testp testp.f
> > ./configure_amber: line 1168: g95: command not found
> > ./configure_amber: line 1169: ./testp: No such file or directory
> > Unable to compile a Fortran program using g95 -O0 -fno-second-underscore
> > Please check your compiler settings or configure flags.
> >
> > i tried to install g95 after that and the compiler says:
> >
> > ERROR:
> >
> > ./configure_amber -static g95
> > Setting AMBERHOME to /root/nyla_working/amber10
> >
> > Setting up Amber configuration file for architecture: g95
> > Using parallel communications library: none
> > The MKL_HOME environment variable is not defined.
> >
> > Testing the C compiler:
> > gcc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -O2 -m32 -o testp
> > testp.c
> > OK
> >
> > Testing the Fortran compiler:
> > g95 -O0 -fno-second-underscore -o testp testp.f
> > g95: installation problem, cannot exec 'f951': No such file or directory
> > ./configure_amber: line 1169: ./testp: No such file or directory
> > Unable to compile a Fortran program using g95 -O0 -fno-second-underscore
> > Please check your compiler settings or configure flags.
> >
> >
> >
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
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Received on Tue Jul 26 2011 - 02:30:03 PDT
