AMBER Archive (2009)

Subject: Re: AMBER: install amber10

From: Scott Brozell (sbrozell_at_scripps.edu)
Date: Tue Jan 06 2009 - 13:33:21 CST

Hi,

On Tue, 6 Jan 2009, wl2290_at_columbia.edu wrote:

> Thanks for your advice. I tried to install amber10 on another computer:
>
> starbuck /opt# uname -a
> Linux starbuck 2.6.19-ck2-suse102-osmp #1 SMP Thu Feb 8 15:16:20 EST 2007
> x86_64 x86_64 x86_64 GNU/Linux
>
> The following are what I did and the compiling message - a confusing problem
> with step of "make parallel":
>
> 1. unpacked both Amber10.tar & AmberTools-1.2.tar at /opt/amber10
>
> 2. setenv AMBERHOME /opt/amber10, and added set PATH = ( $PATH
> /opt/amber10/bin )
>
> 3. patch -p0 -N -r patch-rejects < bugfix.all

step 3 was not completely successful.

> 4. starbuck amber10/src# ./configure_amber -lamsource gfortran
> -> The configuration file, config_amber.h, was successfully created.
>
> 5. ./configure_lam
> --> LAM/MPI 7.1.3 has been built.
> Installation of LAM/MPI 7.1.3 is complete.
>
> 6. starbuck amber10/src# make parallel
>
> Starting installation of Amber10 (parallel) at Tue Jan 6 09:50:41 EST 2009.
> cd sander; make parallel
...
> cpp -traditional -I/opt/amber10/include -P -xassembler-with-cpp
> -Dsecond=ambsecond -DBINTRAJ -DMPI softcore.f > _softcore.f
> /opt/amber10/bin/mpif77 -c -O3 -fno-range-check -fno-second-underscore
> -ffree-form -o softcore.o _softcore.f
> In file _softcore.f:899
>
> write (6,'(a,i5,a)') ' Molecule ',imol,' is nonsoftcore, but
> 1
> Error: Unterminated character constant beginning at (1)
> /opt/amber10/bin/mpif77: No such file or directory
> make[1]: *** [softcore.o] Error 1

This is bugfix 12:
http://ambermd.org/bugfixes/10.0/bugfix.12

Reapply bugfixes 11 and 12; bugfix 12 could be done manually.

Scott

-----------------------------------------------------------------------
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