Task 38686417

Name test_247-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND4008_0
Workunit 31627849
Created 28 Oct 2026, 2:23:41 UTC
Sent 28 Oct 2026, 2:23:48 UTC
Report deadline 2 Nov 2026, 2:23:48 UTC
Received 28 Oct 2026, 4:14:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606795
Run time 1 hours 42 min 10 sec
CPU time 1 hours 42 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 695.84 MB
Peak swap size 5.36 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:25:36 (54596): wrapper (7.9.26016): starting
20:25:36 (54596): 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
20:25:37 (54596): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:25:37 (54596): 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\2\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\2\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
22:14:01 (54596): C:/Windows/system32/cmd.exe exited; CPU time 6130.312500
22:14:01 (54596): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 bytes in 8 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 137056189 bytes.
Dumping objects ->
{3835232} normal block at 0x000002597355D460, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x00000259718D4AC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x00000259718D49E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835199} normal block at 0x00000259718D5000, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835188} normal block at 0x00000259718D4970, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835157} normal block at 0x00000259735A8520, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835146} normal block at 0x000002597193A0B0, 140 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) : {3835143} normal block at 0x00000259718CF2D0, 8 bytes long.
 Data: <  &#207;qY   > 00 00 CF 71 59 02 00 00 
{3834543} normal block at 0x000002597193A9A0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000259718CECE0, 8 bytes long.
 Data: <`JcsY   > 60 4A 63 73 59 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000259718D09E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000259718C64B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000259718D5FB0, 16 bytes long.
 Data: <&#248;g qY           > F8 67 8D 71 59 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000259718D5D30, 16 bytes long.
 Data: <&#208;g qY           > D0 67 8D 71 59 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000259718CF9D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000259718D5650, 16 bytes long.
 Data: <&#168;g qY           > A8 67 8D 71 59 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000259718D5600, 16 bytes long.
 Data: < g qY           > 80 67 8D 71 59 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000259718D5C90, 16 bytes long.
 Data: <Xg qY           > 58 67 8D 71 59 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000259718D5CE0, 16 bytes long.
 Data: <0g qY           > 30 67 8D 71 59 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000259718D4C80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000259718D5D80, 16 bytes long.
 Data: <&#200;&#231;&#140;qY           > C8 E7 8C 71 59 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000259718D0870, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000259718D5BA0, 16 bytes long.
 Data: <&#160;&#231;&#140;qY           > A0 E7 8C 71 59 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000259718D5EC0, 16 bytes long.
 Data: <x&#231;&#140;qY           > 78 E7 8C 71 59 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000259718D61E0, 16 bytes long.
 Data: <P&#231;&#140;qY           > 50 E7 8C 71 59 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000259718D5AB0, 16 bytes long.
 Data: <(&#231;&#140;qY           > 28 E7 8C 71 59 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000259718D5560, 16 bytes long.
 Data: < &#231;&#140;qY           > 00 E7 8C 71 59 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000259718D6370, 16 bytes long.
 Data: <&#216;&#230;&#140;qY           > D8 E6 8C 71 59 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000259718CFD30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000259718D5E70, 16 bytes long.
 Data: <&#176;&#230;&#140;qY           > B0 E6 8C 71 59 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000259718CE6B0, 320 bytes long.
 Data: <p^ qY   0&#253;&#140;qY   > 70 5E 8D 71 59 02 00 00 30 FD 8C 71 59 02 00 00 
{276} normal block at 0x00000259718D63C0, 16 bytes long.
 Data: < g qY           > 10 67 8D 71 59 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000259718D5F60, 16 bytes long.
 Data: <&#232;f qY           > E8 66 8D 71 59 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000259718CFCD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000259718D5E20, 16 bytes long.
 Data: <&#192;f qY           > C0 66 8D 71 59 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000259718D00F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x00000259718D5DD0, 16 bytes long.
 Data: < f qY           > 08 66 8D 71 59 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000259718D5B50, 16 bytes long.
 Data: <&#224;e qY           > E0 65 8D 71 59 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000259718D6140, 16 bytes long.
 Data: <&#184;e qY           > B8 65 8D 71 59 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000259718D5790, 16 bytes long.
 Data: < e qY           > 90 65 8D 71 59 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000259718D5B00, 16 bytes long.
 Data: <he qY           > 68 65 8D 71 59 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000259718D6230, 16 bytes long.
 Data: <@e qY           > 40 65 8D 71 59 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000259718D5F10, 16 bytes long.
 Data: <0K qY           > 30 4B 8D 71 59 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000259718D4B30, 40 bytes long.
 Data: < _ qY    &#133;ZsY   > 10 5F 8D 71 59 02 00 00 20 85 5A 73 59 02 00 00 
{262} normal block at 0x00000259718D6190, 16 bytes long.
 Data: < e qY           > 20 65 8D 71 59 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000259718D5BF0, 16 bytes long.
 Data: <&#248;d qY           > F8 64 8D 71 59 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000259718D0750, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000259718D5510, 16 bytes long.
 Data: <&#208;d qY           > D0 64 8D 71 59 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000259718D64D0, 992 bytes long.
 Data: < U qY   P  qY   > 10 55 8D 71 59 02 00 00 50 07 8D 71 59 02 00 00 
{94} normal block at 0x00000259718CFA30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000259718CF730, 16 bytes long.
 Data: <&#192;&#230;&#139;qY           > C0 E6 8B 71 59 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000259718BE6C0, 40 bytes long.
 Data: <0&#247;&#140;qY   0&#250;&#140;qY   > 30 F7 8C 71 59 02 00 00 30 FA 8C 71 59 02 00 00 
{71} normal block at 0x00000259718CF1E0, 16 bytes long.
 Data: < &#234;&#194;j&#246;           > 80 EA C2 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000259718CF190, 16 bytes long.
 Data: <@&#233;&#194;j&#246;           > 40 E9 C2 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000259718CEA10, 16 bytes long.
 Data: <&#248;W&#191;j&#246;           > F8 57 BF 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000259718CF5A0, 16 bytes long.
 Data: <&#216;W&#191;j&#246;           > D8 57 BF 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000259718CEDD0, 16 bytes long.
 Data: <P &#191;j&#246;           > 50 04 BF 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000259718CF460, 16 bytes long.
 Data: <0 &#191;j&#246;           > 30 04 BF 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000259718CF3C0, 16 bytes long.
 Data: <&#224; &#191;j&#246;           > E0 02 BF 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000259718CEA60, 16 bytes long.
 Data: <  &#191;j&#246;           > 10 04 BF 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000259718CF280, 16 bytes long.
 Data: <p &#191;j&#246;           > 70 04 BF 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000259718CF140, 16 bytes long.
 Data: < &#192;&#189;j&#246;           > 18 C0 BD 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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