Task 38682653

Name test_138-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND3367_0
Workunit 31624251
Created 27 Oct 2026, 8:33:03 UTC
Sent 27 Oct 2026, 8:33:11 UTC
Report deadline 1 Nov 2026, 8:33:11 UTC
Received 27 Oct 2026, 9:55:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648105
Run time 42 min 51 sec
CPU time 39 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,806.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 658.58 MB
Peak swap size 2.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
05:10:15 (32824): wrapper (7.9.26016): starting
05:10:15 (32824): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
05:10:17 (32824): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:10:17 (32824): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\1\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\1\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
05:54:48 (32824): C:/Windows/system32/cmd.exe exited; CPU time 2395.781250
05:54:48 (32824): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 60344655 bytes.
Dumping objects ->
{3835277} normal block at 0x0000027F4F36F9C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x0000027F4F36F480, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x0000027F4F3701A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835244} normal block at 0x0000027F4F36FD40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000027F4F36FB80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835202} normal block at 0x0000027F510FFB30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835189} normal block at 0x0000027F4F33D8C0, 8 bytes long.
 Data: <  yO    > 00 00 79 4F 7F 02 00 00 
{3833987} normal block at 0x0000027F4F33D6E0, 8 bytes long.
 Data: <   Q    > 90 05 10 51 7F 02 00 00 
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x0000027F4F344640, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{310} normal block at 0x0000027F4F337DB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{309} normal block at 0x0000027F4F34BA80, 16 bytes long.
 Data: <&#232;&#192;4O            > E8 C0 34 4F 7F 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x0000027F4F34B9E0, 16 bytes long.
 Data: <&#192;&#192;4O            > C0 C0 34 4F 7F 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000027F4F341520, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{306} normal block at 0x0000027F4F34BCB0, 16 bytes long.
 Data: < &#192;4O            > 98 C0 34 4F 7F 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000027F4F34BC60, 16 bytes long.
 Data: <p&#192;4O            > 70 C0 34 4F 7F 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000027F4F34B940, 16 bytes long.
 Data: <H&#192;4O            > 48 C0 34 4F 7F 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000027F4F34B760, 16 bytes long.
 Data: < &#192;4O            > 20 C0 34 4F 7F 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000027F4F3422C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{301} normal block at 0x0000027F4F34B990, 16 bytes long.
 Data: <h 3O            > 68 0F 33 4F 7F 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000027F4F3414C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{299} normal block at 0x0000027F4F34B6C0, 16 bytes long.
 Data: <@ 3O            > 40 0F 33 4F 7F 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000027F4F34AF40, 16 bytes long.
 Data: <  3O            > 18 0F 33 4F 7F 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000027F4F34AFE0, 16 bytes long.
 Data: <&#240; 3O            > F0 0E 33 4F 7F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027F4F34B670, 16 bytes long.
 Data: <&#200; 3O            > C8 0E 33 4F 7F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000027F4F34BA30, 16 bytes long.
 Data: <&#160; 3O            > A0 0E 33 4F 7F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027F4F34B5D0, 16 bytes long.
 Data: <x 3O            > 78 0E 33 4F 7F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027F4F341CA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{291} normal block at 0x0000027F4F34B8F0, 16 bytes long.
 Data: <P 3O            > 50 0E 33 4F 7F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027F4F330E50, 320 bytes long.
 Data: <&#240;&#184;4O    &#160; 4O    > F0 B8 34 4F 7F 02 00 00 A0 1C 34 4F 7F 02 00 00 
{289} normal block at 0x0000027F4F34AE00, 16 bytes long.
 Data: < &#192;4O            > 00 C0 34 4F 7F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027F4F34B580, 16 bytes long.
 Data: <&#216;&#191;4O            > D8 BF 34 4F 7F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027F4F341460, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{286} normal block at 0x0000027F4F34B3F0, 16 bytes long.
 Data: <&#176;&#191;4O            > B0 BF 34 4F 7F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027F4F341400, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{284} normal block at 0x0000027F4F34B350, 16 bytes long.
 Data: <&#248;&#190;4O            > F8 BE 34 4F 7F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027F4F34B8A0, 16 bytes long.
 Data: <&#208;&#190;4O            > D0 BE 34 4F 7F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027F4F34B490, 16 bytes long.
 Data: <&#168;&#190;4O            > A8 BE 34 4F 7F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027F4F34B7B0, 16 bytes long.
 Data: < &#190;4O            > 80 BE 34 4F 7F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027F4F34B620, 16 bytes long.
 Data: <X&#190;4O            > 58 BE 34 4F 7F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027F4F34B710, 16 bytes long.
 Data: <0&#190;4O            > 30 BE 34 4F 7F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027F4F34B260, 16 bytes long.
 Data: <@&4O            > 40 26 34 4F 7F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027F4F342640, 40 bytes long.
 Data: <`&#178;4O    0&#251; Q    > 60 B2 34 4F 7F 02 00 00 30 FB 0F 51 7F 02 00 00 
{275} normal block at 0x0000027F4F34B800, 16 bytes long.
 Data: < &#190;4O            > 10 BE 34 4F 7F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027F4F34B530, 16 bytes long.
 Data: <&#232;&#189;4O            > E8 BD 34 4F 7F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027F4F341A60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{272} normal block at 0x0000027F4F34B3A0, 16 bytes long.
 Data: <&#192;&#189;4O            > C0 BD 34 4F 7F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027F4F34BDC0, 992 bytes long.
 Data: <&#160;&#179;4O    ` 4O    > A0 B3 34 4F 7F 02 00 00 60 1A 34 4F 7F 02 00 00 
{107} normal block at 0x0000027F4F341340, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{106} normal block at 0x0000027F4F33DEB0, 16 bytes long.
 Data: <&#160;#4O            > A0 23 34 4F 7F 02 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x0000027F4F3423A0, 40 bytes long.
 Data: <&#176;&#222;3O    @ 4O    > B0 DE 33 4F 7F 02 00 00 40 13 34 4F 7F 02 00 00 
{84} normal block at 0x0000027F4F33D960, 16 bytes long.
 Data: < &#234;p&#230;&#247;           > 80 EA 70 E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000027F4F33D5A0, 16 bytes long.
 Data: <@&#233;p&#230;&#247;           > 40 E9 70 E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000027F4F33D320, 16 bytes long.
 Data: <&#248;Wm&#230;&#247;           > F8 57 6D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000027F4F33D280, 16 bytes long.
 Data: <&#216;Wm&#230;&#247;           > D8 57 6D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000027F4F33D780, 16 bytes long.
 Data: <P m&#230;&#247;           > 50 04 6D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000027F4F33D730, 16 bytes long.
 Data: <0 m&#230;&#247;           > 30 04 6D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000027F4F33DBE0, 16 bytes long.
 Data: <&#224; m&#230;&#247;           > E0 02 6D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000027F4F33D910, 16 bytes long.
 Data: <  m&#230;&#247;           > 10 04 6D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000027F4F33D3C0, 16 bytes long.
 Data: <p m&#230;&#247;           > 70 04 6D E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000027F4F33D140, 16 bytes long.
 Data: < &#192;k&#230;&#247;           > 18 C0 6B E6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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