AMBER Archive (2004)

Subject: Re: AMBER: problem for compiling amber7 by ifc8

From: scopio (scopio_at_163.com)
Date: Sun May 02 2004 - 23:18:31 CDT

Dear Hornak:

Sorry, I resolved this problem by adding 'cd lapack; make install'
preceded to 'cd sander; make install' . Thank you very much for your
kind help!

Best Regards!

Liu

Viktor Hornak wrote:

> Dear Liu,
>
> this looks like trailing underscore problem. Are you sure you compiled
> mpich with ifort?
> What does "nm $MPICH_HOME/lib/libmpich.a" output look like?
>
> -Viktor
>
> scopio wrote:
>
>> Dear Amber Users:
>>
>> I'm now compiling Amber7 on Redhat9 with ifc8.0 by following the
>> instruction at http://amber.scripps.edu/cluster_info/compile_a7.html.
>>
>> I installed ifc8.0 and then compiled mpich-1.2.5.2. All seem go well
>> before I go to amber7/src directory tring to compile amber.
>>
>> The machine file I use is downloaded from
>> http://amber.scripps.edu/cluster_info/Machine.ifort_mpich. And
>> bugfix.1 has been applied to amber7/src/lapack/Makefile. Next, I type
>> 'make install' after setenv $AMBERHOME and $MPICH_HOME. The problem
>> seems ocurred at the step compiling sander. Below are the error message:
>> ====
>> dtrsm.o dtrsv.o dummy.o dzasum.o dznrm2.o idamax.o isamax.o lsame.o
>> ../Compile RANLIB blas.a
>> ranlib blas.a
>> make[3]: Leaving directory `/home/liu/amber7/src/blas'
>> make[2]: Leaving directory `/home/liu/amber7/src/blas'
>> SYSLIB=`../sysdir lib` ; ../Compile LOAD -o sander \
>> sander.o cshf.o noecalc.o noeread.o caldis.o
>> calrate.o dinten.o drates.o indexn.o kmat.o pearsn.o plane.o remarc.o
>> nmrcal.o
>> ................
>> ................
>> ecomp.o ../lapack/lapack.a ../blas/blas.a ../lib/nxtsec.o
>> /home/liu/amber7/src/Machines/standard/sys.a
>> -L/usr/local/mpich-1.2.5.2_icc/lib -lmpich -lpmpich
>> sander.o(.text+0x50): In function `MAIN__':
>> : undefined reference to `mpi_init_'
>> sander.o(.text+0x72): In function `MAIN__':
>> : undefined reference to `mpi_comm_rank_'
>> .....................
>> ......................
>> make[1]: *** [sander] Error 1
>> make[1]: Leaving directory `/home/liu/amber7/src/sander'
>> make: *** [install] Error 2
>> ===========
>>
>> Any help would be very appreciated!
>>
>> Regards!
>>
>> Liu
>>
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>
>
>
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