HI ,
I am trying to install AMBER12 and AMBERTOOLS13 in my MAC10.9 and geeting
the following error. I compiled it using"../configure --with-netcdf /my
whateverpath/ gnu"
-lm
/bin/mv paramfit /opt/softs/amber12/bin
Installation of AmberTools13 serial is complete at Tue 7 Oct 2014 12:45:47
MDT.
Starting installation of Amber12 (serial) at Tue 7 Oct 2014 12:45:47 MDT.
cd lib && /Applications/Xcode.app/Contents/Developer/usr/bin/make install
/bin/sh: line 0: cd: lib: Not a directory
make[1]: *** [serial] Error 1
make: *** [install] Error 2
user.maverickr#
On Wed, Mar 19, 2014 at 9:55 AM, BERGY <nucleic81.gmail.com> wrote:
> Dear all,
>
> I get the following msg on submitting my job. all amber 12 and
> ambertools 13 update are done.
> ---------------------
> application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
> rank 0 in job 4 mambo_42345 caused collective abort of all ranks
> exit status of rank 0: killed by signal 9
> -------------------
> The OUT file has the following error msg.
>
>
> | Largest sphere to fit in unit cell has radius = 33.861
>
> | New format PARM file being parsed.
> | Version = 1.000 Date = 03/19/14 Time = 03:20:35
>
> | Note: 1-4 EEL scale factors are being read from the topology file.
>
> | Note: 1-4 VDW scale factors are being read from the topology file.
> CUDA (GPU): Prmtop appears to contain modified off-diagonal elements
> for VDW A coef.
> GPU code does NOT support such force field modifications.
> Found Aij = 787979.7920942737 expected
> 479622.7030000000
> i = 20 j = 1 Matrix element = 191
>
> Thanking you
> Bergy
>
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Received on Tue Oct 07 2014 - 12:30:02 PDT
