AMBER Archive (2008)

Subject: RE: AMBER: amber10 installation problem

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Tue Jun 10 2008 - 17:04:51 CDT

Hi Ed,

Can you try the following:

Edit config.h

1) Erase the contents of the MPI_LIBS = line in config.h (so that it just
reads MPI_LIBS =)

2) Replace all copies of pgf90 with mpif90

3) Replace all copies of pgcc with mpicc

This assumes that mpif90 and mpicc are in your path and that they use the
correct compiler. You can check this with 'mpif90 -show'

Then try building again.

All the best
Ross

> -----Original Message-----
> From: owner-amber_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf
> Of Ed Pate
> Sent: Tuesday, June 10, 2008 2:00 PM
> To: amber_at_scripps.edu
> Subject: AMBER: amber10 installation problem
>
> Dear Amber Community:
>
> We are trying to install the parallel version of pmemd in Amber10,
> without success.
>
> Our system is is opteron, 64 bit. pgf90 fortran. The os is Suse10.0.
> There are infiniband interconnects and mpich 1.2.7
>
> MPICH configure:
> --with-device=ch_gen2 --with-arch=LINUX -prefix=/usr/local/mvapich-pgi
> --with-romio --without-mpe -lib=-L/usr/ofed/lib64
> -Wl,-rpath=/usr/ofed/lib64 -libverbs -lpthread
> MPICH Device: ch_gen2
>
> The configure command is
>
> configure linux64_opteron pgf90 mvapich
>
> We appear to get a successful generation of the makefile (after answering
> two questions re: mvapich location and infiniband location).
>
> The "make" command output ends with the following error message:
>
> /usr/bin/ld: cannot find -lmtl_common
> make[1]: *** [pmemd] Error 2
> make[1]: Leaving directory `/usr/local/amber10/amber10/src/pmemd/src'
> make: *** [all] Error 2
>
> We have looked and cannot find libmtl_common*
>
> We would appreciate it if anyone could point us in the right direction.
>
> Thanks
>
> Ed Pate
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber_at_scripps.edu
> To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
> to majordomo_at_scripps.edu

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
      to majordomo_at_scripps.edu