On Sat, May 08, 2010, jaya c.jose wrote:
>
> In the last step of Amber10 installation,during the installation of PMEMD
> I faced some problems.I wrote before to amber mailing list and got some
> instructions regarding this problem.From those I realised some mistakes and
> gave the options as follows.Then it shows PMEMD Configurate successfully
> completed.
>
>
> ( command - ./configure linux_em64t ifort intelmpi)
>
> Please enter name of directory where Intel MKL files are installed:
> /opt/intel/mkl/10.0.3.020/man/man3
This is almost certainly incorrect...leave off the "/man/man3" part.
> /lib/cpp -traditional -P -I/opt/intel/impi/3.1/include -DPUBFFT -DMPI
> -DDIRFRC_EFS -DDIRFRC_COMTRANS -DDIRFRC_NOVEC -DMKL -DFFTLOADBAL_2PROC
> charmm.fpp charmm.f90
>
> ifort -c -auto -tpp7 -xP -ip -O3 charmm.f90
> fortcom: Error: charmm.f90, line 275: Declaration of module 'CHARMM_MOD'
> conflicts with a previous declaration
>
> module charmm_mod
>
> -------^
>
> fortcom: Error: charmm.f90, line 275: Declaration of routine 'CHARMM_MOD'
> conflicts with a previous declaration
>
> module charmm_mod
>
> -------^
>
> compilation aborted for charmm.f90 (code 1)
It sounds like something went wrong in applying bugfix.26(?). You could
examine the charmm.f90 file to see if anything obvious pops out. I think
line 275 should say "end module charmm_mod", and the error message suggests
that the "end" keyword is missing. How did you apply the bugfixes?
...dac
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Received on Sat May 08 2010 - 06:00:03 PDT
