Hello,
It looks to me like things are all messed up. You have undefined references
to _gfortran_ stuff, which should almost certainly not be there. It looks
like you have some object files left over from a previous installation with
the GNU compilers.
You should do a make clean in the amber directory and rerun the configures.
make clean
make -f Makefile_at clean
unset MKL_HOME
./configure_amber ifort
make serial
Hope this helps,
Jason
On Tue, Mar 15, 2011 at 10:29 AM, Dmitry Osolodkin <divanych.rambler.ru>wrote:
> On 03/15/2011 08:24 PM, David A Case wrote:
> >> You can choose
> >> to skip using the MKL by unsetting MKL_HOME, and this error should go
> away.
> >
> > Note that this is likely to be a very good choice: performance difference
> for
> > Amber with/without MKL are very minor. If you are having trouble with
> MKL,
> > you might want to make sure you really need it.
>
> Without MKL:
>
> ifort -o addles lesmain.o addspace.o readprm.o writprm.o readcrd.o
> writcrd.o pick.o rline.o nxt.o intgr.o find.o of.o
> geti.o unit.o getc.o alert.o echo.o get4c.o getd.o
> wlesprm.o lesprm.o les2prm.o checksz.o addspace_atm1st.o ../lib/random.o
> ../lib/mexit.o ../lib/nxtsec.o -lsvml
> ../lib/random.o: In function `amrand_gen_':
> _random.f:(.text+0x3cb): undefined reference to `_gfortran_st_write'
> _random.f:(.text+0x3e9): undefined reference to
> `_gfortran_transfer_character'
> _random.f:(.text+0x3f7): undefined reference to `_gfortran_st_write_done'
> ../lib/random.o: In function `gauss_gen_':
>
> # bunch of similar lines
>
> _nxtsec.f:(.text+0x2c80): undefined reference to `_gfortran_st_write_done'
> _nxtsec.f:(.text+0x2c8c): undefined reference to `_gfortran_stop_numeric'
> ld: addles: hidden symbol `__intel_cpu_indicator_init' in
> /opt/intel/composerxe-2011.2.137/compiler/lib/ia32/libirc.a(cpu_disp.o)
> is referenced by DSO
> ld: final link failed: Nonrepresentable section on output
> make[1]: *** [addles] Error 1
>
>
>
>
> --
> Dmitry Osolodkin
> Researcher
> Group of Computational Molecular Design
> Department of Chemistry
> Moscow State University
> Moscow 119991 Russia
> e-mail: dmitry_o.qsar.chem.msu.ru
> Phone: +7-495-9393557
> Fax: +7-495-9390290
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Tue Mar 15 2011 - 11:00:05 PDT
