Hi Lars,
as I posted earlier, you need to replace
/src/pmemd/src/prmtop_dat.fpp with
src/pmemd/src/prmtop_dat.fpp
in bugfix.all
I still had some problems, but you can fix them manually, I guess.
I am waiting for a repaired bugfix.all
Best,
Philipp
On Mar 8, 2010, at 1:52 PM, Dr. Lars Packschies wrote:
> Dear List Members,
>
> applying the Amber10 "bugfix.all" patch fails, I could not find help
> searching the mail reflector archive.
>
> This is the error message:
>
>
>
> ---------------------------------------------------
> patching file src/pmemd/src/extra_pnts_nb14.fpp
> Hunk #2 succeeded at 508 (offset -1 lines).
> Hunk #4 FAILED at 541.
> 1 out of 4 hunks FAILED -- saving rejects to file src/pmemd/src/
> extra_pnts_nb14.fpp.rej
> patching file src/pmemd/src/nb_exclusions.fpp
> patching file src/pmemd/src/pme_alltasks_setup.fpp
> Hunk #1 succeeded at 103 (offset 5 lines).
> Hunk #2 succeeded at 186 (offset 2 lines).
> can't find file to patch at input line 259359
> Perhaps you used the wrong -p or --strip option?
> The text leading up to this was:
> --------------------------
> |
> |--- /src/pmemd/src/prmtop_dat.fpp 2007-12-19 17:25:09.000000000 -0500
> |+++ /src/pmemd/src/prmtop_dat.fpp 2010-02-05 16:49:08.000000000 -0500
> --------------------------
> ---------------------------------------------------
>
>
>
> Here is the content of the reject log (src/pmemd/src/
> extra_pnts_nb14.fpp.rej)
>
>
>
> ---------------------------------------------------
> ***************
> *** 538,544 ****
> i11(2, (natom + numextra)), &
> i12(2, 3 * (nbonh + nbona)), &
> i13(2, 3 * (ntheth + ntheta)), &
> - i14(2, 3 * (nphih + nphia)), &
> s3(maxa), &
> stat = alloc_failed)
>
> --- 541,547 ----
> i11(2, (natom + numextra)), &
> i12(2, 3 * (nbonh + nbona)), &
> i13(2, 3 * (ntheth + ntheta)), &
> + i14(2, nb14_mult_fac * (nphih + nphia)), &
> s3(maxa), &
> stat = alloc_failed)
> ---------------------------------------------------
>
>
>
> Are there different versions of the Amber10 source package? I just
> downloaded the latest version of the bugfix.all file for Amber10.
>
>
> Thanks in advance,
>
> Lars
>
> --
> Dr. Lars Packschies, RRZK Robert-Koch-Str.10 ,H
> D-50931 Cologne H H O
> Comp.Dpt., Univ. of Cologne; Phn (+49)221-478-7022 `O-H. | ,' `H
> Packschies.rrz.uni-koeln.de; Fax (+49)221-478-5568 `O-H
>
> --
> Dr. Lars Packschies, RRZK, Robert-Koch-Str.10 ,H
> Fachbereichsbetreuung Chemie 50931 Koeln H H O
> Universitaet zu Koeln Tel 0221-478-7022 `O-H. | ,' `H
> Packschies.rrz.uni-koeln.de Fax 0221-478-5568 `O-H
>
>
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Received on Mon Mar 08 2010 - 05:30:03 PST
