[AMBER] Amber 10 and bugfix.all

From: Dr. Lars Packschies <packschies.rrz.uni-koeln.de>
Date: Mon, 8 Mar 2010 13:52:50 +0100

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 - 05:00:03 PST
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