Re: [AMBER-Developers] AmberTools12.lyx now open, more...

From: Robin Betz <rbetz.ucsd.edu>
Date: Fri, 22 Mar 2013 01:31:51 -0700

I have been doing some updates to the paramfit code and recently committed
a lot of changes and some new files but I don't think that this would cause
the error you're seeing for everyone. I am not too great with git though so
if there is a problem with my paramfit commits please let me know.

I just did a git pull on another machine that was behind the head by about
a week and didn't receive any errors so I don't believe that the paramfit
stuff is messed up in the tree.


On Thu, Mar 21, 2013 at 9:08 PM, Scott Brozell <sbrozell.rci.rutgers.edu>wrote:

> Hi,
>
> On Thu, Mar 21, 2013 at 04:38:57PM -0400, David A Case wrote:
> > Aside: something seems to have broken all the Intel builds on the cruise
> > control page. Seems to be recently changes to pmemd. I'm using a newer
> > version of the Intel compilers, and don't get these errors, but if
> someone has
> > easy access to the 11.1.069 compilers, you might see if the error logs
> match
> > what you get, and make any sense.
>
> intel-compilers-11.1.056 builds and tests fine for me
> (except for some known failures - ORCA issue; ./rdc/gcg.dip.o.dif ).
>
> However, I am probably not at the head of master:
> %git pull
> Updating c147f84..b185632
> AmberTools/src/cpptraj/src/Action_Diffusion.cpp: needs update
> AmberTools/src/cpptraj/src/Action_MakeStructure.cpp: needs update
> AmberTools/src/cpptraj/src/Action_Rmsd.cpp: needs update
> AmberTools/src/cpptraj/src/Action_SymmetricRmsd.cpp: needs update
> AmberTools/src/cpptraj/src/Analysis_CrdFluct.cpp: needs update
> AmberTools/src/cpptraj/src/Analysis_Rms2d.cpp: needs update
> AmberTools/src/cpptraj/src/Analysis_RmsAvgCorr.cpp: needs update
> AmberTools/src/cpptraj/src/ImageRoutines.cpp: needs update
> AmberTools/src/cpptraj/src/ImageRoutines.h: needs update
> AmberTools/src/paramfit/Makefile: needs update
> AmberTools/src/paramfit/bounds_check.c: needs update
> AmberTools/src/paramfit/calc_r_squared.c: needs update
> AmberTools/src/paramfit/defaults.c: needs update
> AmberTools/src/paramfit/example_config_files/Job_Control.in: needs update
> AmberTools/src/paramfit/file_io.c: needs update
> AmberTools/src/paramfit/fitting_control.c: needs update
> AmberTools/src/paramfit/function_def.h: needs update
> AmberTools/src/paramfit/genetic_algorithm.c: needs update
> AmberTools/src/paramfit/mem_alloc.c: needs update
> AmberTools/src/paramfit/options_summary.c: needs update
> AmberTools/src/paramfit/param_summary.c: needs update
> AmberTools/src/paramfit/parameter_optimiser.c: needs update
> AmberTools/src/paramfit/process_command_line.c: needs update
> AmberTools/src/paramfit/process_job_control_setting.c: needs update
> AmberTools/src/paramfit/process_prmtop.c: needs update
> AmberTools/src/paramfit/write_input.c: needs update
> error: Entry 'AmberTools/src/cpptraj/src/Action_Diffusion.cpp' not
> uptodate. Cannot merge.
>
> %git ls-files -m | xargs -t rm
> %git ls-files -d | xargs -t git checkout --
> %git pull
> Updating c147f84..b185632
> error: Untracked working tree file
> 'AmberTools/src/paramfit/dihedral_fitting.c' would be overwritten by merge.
> ...
> %rm -fr AmberTools/src/paramfit/*
> %git ls-files -d | xargs -t git checkout --
> Your branch is behind the tracked remote branch 'origin/master' by 120
> commits,
> and can be fast-forwarded.
> %git pull
> Updating c147f84..b185632
> error: Untracked working tree file
> 'AmberTools/test/paramfit/dihedral_perfect_fit_NMA/Job_Control.in' would be
> overwritten by merge.
>
> Various variations of above ultimately fail the same way.
> Is there a way out of this mess besides blowing away everything ?
> Note that I was uptodate a few days ago and had made no modifications.
>
> scott
>
>
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Received on Fri Mar 22 2013 - 02:00:02 PDT
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