Task 38698059

Name test_256-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND5326_0
Workunit 31638593
Created 2 Nov 2026, 2:51:25 UTC
Sent 2 Nov 2026, 2:51:28 UTC
Report deadline 7 Nov 2026, 2:51:28 UTC
Received 2 Nov 2026, 3:33:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 607094
Run time 41 min 29 sec
CPU time 39 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,073.70 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 672.98 MB
Peak swap size 5.25 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:52:52 (15468): wrapper (7.9.26016): starting
03:52:52 (15468): 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
03:52:53 (15468): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:52:53 (15468): 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\11\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\11\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
04:33:10 (15468): C:/Windows/system32/cmd.exe exited; CPU time 2366.828125
04:33:10 (15468): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 bytes in 8 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: 43030564 bytes.
Dumping objects ->
{3835296} normal block at 0x000002659C5ECDB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835285} normal block at 0x000002659C5EC950, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835274} normal block at 0x000002659C5EC640, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835263} normal block at 0x000002659C5EC410, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835252} normal block at 0x000002659C5ECFE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835221} normal block at 0x000002659E1FDE20, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x000002659E210DE0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835207} normal block at 0x000002659C5BFC70, 8 bytes long.
 Data: <   &#158;e   > 00 00 0E 9E 65 02 00 00 
{3834577} normal block at 0x000002659E210FC0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x000002659C5BF4F0, 8 bytes long.
 Data: <0&#140;%&#158;e   > 30 8C 25 9E 65 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002659C5BCCD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002659C5B3480, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000002659C5C9D70, 16 bytes long.
 Data: <H&#162;\&#156;e           > 48 A2 5C 9C 65 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002659C5C9D20, 16 bytes long.
 Data: < &#162;\&#156;e           > 20 A2 5C 9C 65 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002659C5C3110, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000002659C5C94B0, 16 bytes long.
 Data: <&#248;&#161;\&#156;e           > F8 A1 5C 9C 65 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002659C5C9BE0, 16 bytes long.
 Data: <&#208;&#161;\&#156;e           > D0 A1 5C 9C 65 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002659C5C9AA0, 16 bytes long.
 Data: <&#168;&#161;\&#156;e           > A8 A1 5C 9C 65 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002659C5C9500, 16 bytes long.
 Data: < &#161;\&#156;e           > 80 A1 5C 9C 65 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002659C5C50E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000002659C5C90F0, 16 bytes long.
 Data: <&#200;&#241;Z&#156;e           > C8 F1 5A 9C 65 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002659C5C34D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000002659C5C9CD0, 16 bytes long.
 Data: <&#160;&#241;Z&#156;e           > A0 F1 5A 9C 65 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002659C5C9B40, 16 bytes long.
 Data: <x&#241;Z&#156;e           > 78 F1 5A 9C 65 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002659C5C9410, 16 bytes long.
 Data: <P&#241;Z&#156;e           > 50 F1 5A 9C 65 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002659C5C9A50, 16 bytes long.
 Data: <(&#241;Z&#156;e           > 28 F1 5A 9C 65 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002659C5C9A00, 16 bytes long.
 Data: < &#241;Z&#156;e           > 00 F1 5A 9C 65 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002659C5C9780, 16 bytes long.
 Data: <&#216;&#240;Z&#156;e           > D8 F0 5A 9C 65 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002659C5C3710, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000002659C5C9230, 16 bytes long.
 Data: <&#176;&#240;Z&#156;e           > B0 F0 5A 9C 65 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002659C5AF0B0, 320 bytes long.
 Data: <0&#146;\&#156;e    7\&#156;e   > 30 92 5C 9C 65 02 00 00 10 37 5C 9C 65 02 00 00 
{279} normal block at 0x000002659C5C9B90, 16 bytes long.
 Data: <`&#161;\&#156;e           > 60 A1 5C 9C 65 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002659C5C9460, 16 bytes long.
 Data: <8&#161;\&#156;e           > 38 A1 5C 9C 65 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002659C5C3470, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000002659C5C9C80, 16 bytes long.
 Data: < &#161;\&#156;e           > 10 A1 5C 9C 65 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002659C5C3410, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000002659C5C91E0, 16 bytes long.
 Data: <X&#160;\&#156;e           > 58 A0 5C 9C 65 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002659C5C9190, 16 bytes long.
 Data: <0&#160;\&#156;e           > 30 A0 5C 9C 65 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002659C5C9C30, 16 bytes long.
 Data: < &#160;\&#156;e           > 08 A0 5C 9C 65 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002659C5C9140, 16 bytes long.
 Data: <&#224;&#159;\&#156;e           > E0 9F 5C 9C 65 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002659C5C99B0, 16 bytes long.
 Data: <&#184;&#159;\&#156;e           > B8 9F 5C 9C 65 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002659C5C9960, 16 bytes long.
 Data: < &#159;\&#156;e           > 90 9F 5C 9C 65 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002659C5C9910, 16 bytes long.
 Data: <&#160;R\&#156;e           > A0 52 5C 9C 65 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002659C5C52A0, 40 bytes long.
 Data: <  \&#156;e    &#222; &#158;e   > 10 99 5C 9C 65 02 00 00 20 DE 1F 9E 65 02 00 00 
{265} normal block at 0x000002659C5C93C0, 16 bytes long.
 Data: <p&#159;\&#156;e           > 70 9F 5C 9C 65 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002659C5C92D0, 16 bytes long.
 Data: <H&#159;\&#156;e           > 48 9F 5C 9C 65 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002659C5C3350, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000002659C5C9370, 16 bytes long.
 Data: < &#159;\&#156;e           > 20 9F 5C 9C 65 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002659C5C9F20, 992 bytes long.
 Data: <p&#147;\&#156;e   P3\&#156;e   > 70 93 5C 9C 65 02 00 00 50 33 5C 9C 65 02 00 00 
{97} normal block at 0x000002659C5C2FF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000002659C5BFD10, 16 bytes long.
 Data: <PQ\&#156;e           > 50 51 5C 9C 65 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000002659C5C5150, 40 bytes long.
 Data: < &#253;[&#156;e   &#240;/\&#156;e   > 10 FD 5B 9C 65 02 00 00 F0 2F 5C 9C 65 02 00 00 
{74} normal block at 0x000002659C5BF5E0, 16 bytes long.
 Data: < &#234;&#180;&#216;&#247;           > 80 EA B4 D8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002659C5BF180, 16 bytes long.
 Data: <@&#233;&#180;&#216;&#247;           > 40 E9 B4 D8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002659C5BF040, 16 bytes long.
 Data: <&#248;W&#177;&#216;&#247;           > F8 57 B1 D8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002659C5BF310, 16 bytes long.
 Data: <&#216;W&#177;&#216;&#247;           > D8 57 B1 D8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002659C5BFCC0, 16 bytes long.
 Data: <P &#177;&#216;&#247;           > 50 04 B1 D8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002659C5BF9A0, 16 bytes long.
 Data: <0 &#177;&#216;&#247;           > 30 04 B1 D8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002659C5BF2C0, 16 bytes long.
 Data: <&#224; &#177;&#216;&#247;           > E0 02 B1 D8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002659C5BFC20, 16 bytes long.
 Data: <  &#177;&#216;&#247;           > 10 04 B1 D8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002659C5BF540, 16 bytes long.
 Data: <p &#177;&#216;&#247;           > 70 04 B1 D8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002659C5BF950, 16 bytes long.
 Data: < &#192;&#175;&#216;&#247;           > 18 C0 AF D8 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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