Task 38668753

Name test_2-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND3047_1
Workunit 31611163
Created 25 Oct 2026, 12:39:50 UTC
Sent 25 Oct 2026, 12:39:53 UTC
Report deadline 30 Oct 2026, 12:39:53 UTC
Received 25 Oct 2026, 15:31:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652765
Run time 1 hours 10 min 23 sec
CPU time 1 hours 7 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,156.44 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.39 MB
Peak swap size 12.75 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:23:07 (15568): wrapper (7.9.26016): starting
15:23:07 (15568): 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
15:23:10 (15568): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:23:10 (15568): 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\0\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\0\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
16:30:33 (15568): C:/Windows/system32/cmd.exe exited; CPU time 4072.171875
16:30:33 (15568): 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: 48313019 bytes.
Dumping objects ->
{3835186} normal block at 0x000002528BE146B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000002528BE14640, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835164} normal block at 0x000002528BE14410, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835153} normal block at 0x000002528BE14B10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835142} normal block at 0x000002528BE14AA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835111} normal block at 0x000002528DBE8A70, 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) : {3835098} normal block at 0x000002528BE0F1F0, 8 bytes long.
 Data: <  &#217;&#139;R   > 00 00 D9 8B 52 02 00 00 
{3833951} normal block at 0x000002528BE0FA10, 8 bytes long.
 Data: <0B&#196; R   > 30 42 C4 8D 52 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002528BE101B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002528BDFF6D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000002528BE15760, 16 bytes long.
 Data: <&#248;R&#225;&#139;R           > F8 52 E1 8B 52 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002528BE15670, 16 bytes long.
 Data: <&#208;R&#225;&#139;R           > D0 52 E1 8B 52 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002528BE0ED10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000002528BE16070, 16 bytes long.
 Data: <&#168;R&#225;&#139;R           > A8 52 E1 8B 52 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002528BE16020, 16 bytes long.
 Data: < R&#225;&#139;R           > 80 52 E1 8B 52 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002528BE15A80, 16 bytes long.
 Data: <XR&#225;&#139;R           > 58 52 E1 8B 52 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002528BE15620, 16 bytes long.
 Data: <0R&#225;&#139;R           > 30 52 E1 8B 52 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002528BE14870, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000002528BE16340, 16 bytes long.
 Data: <&#248; &#224;&#139;R           > F8 00 E0 8B 52 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002528BE0E1D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000002528BE155D0, 16 bytes long.
 Data: <&#208; &#224;&#139;R           > D0 00 E0 8B 52 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002528BE16160, 16 bytes long.
 Data: <&#168; &#224;&#139;R           > A8 00 E0 8B 52 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002528BE15D00, 16 bytes long.
 Data: <  &#224;&#139;R           > 80 00 E0 8B 52 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002528BE162F0, 16 bytes long.
 Data: <X &#224;&#139;R           > 58 00 E0 8B 52 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002528BE15C10, 16 bytes long.
 Data: <0 &#224;&#139;R           > 30 00 E0 8B 52 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002528BE15440, 16 bytes long.
 Data: <  &#224;&#139;R           > 08 00 E0 8B 52 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002528BE0E8F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000002528BE15E40, 16 bytes long.
 Data: <&#224;&#255;&#223;&#139;R           > E0 FF DF 8B 52 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002528BDFFFE0, 320 bytes long.
 Data: <@^&#225;&#139;R   &#240;&#232;&#224;&#139;R   > 40 5E E1 8B 52 02 00 00 F0 E8 E0 8B 52 02 00 00 
{271} normal block at 0x000002528BE15CB0, 16 bytes long.
 Data: < R&#225;&#139;R           > 10 52 E1 8B 52 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002528BE15BC0, 16 bytes long.
 Data: <&#232;Q&#225;&#139;R           > E8 51 E1 8B 52 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002528BE0E770, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000002528BE156C0, 16 bytes long.
 Data: <&#192;Q&#225;&#139;R           > C0 51 E1 8B 52 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002528BE0ECB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000002528BE15C60, 16 bytes long.
 Data: < Q&#225;&#139;R           > 08 51 E1 8B 52 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002528BE15580, 16 bytes long.
 Data: <&#224;P&#225;&#139;R           > E0 50 E1 8B 52 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002528BE15710, 16 bytes long.
 Data: <&#184;P&#225;&#139;R           > B8 50 E1 8B 52 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002528BE0FF10, 16 bytes long.
 Data: < P&#225;&#139;R           > 90 50 E1 8B 52 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002528BE0FEC0, 16 bytes long.
 Data: <hP&#225;&#139;R           > 68 50 E1 8B 52 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002528BE0F380, 16 bytes long.
 Data: <@P&#225;&#139;R           > 40 50 E1 8B 52 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002528BE0F880, 16 bytes long.
 Data: <&#208;E&#225;&#139;R           > D0 45 E1 8B 52 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002528BE145D0, 40 bytes long.
 Data: < &#248;&#224;&#139;R   p&#138;&#190; R   > 80 F8 E0 8B 52 02 00 00 70 8A BE 8D 52 02 00 00 
{257} normal block at 0x000002528BE0F330, 16 bytes long.
 Data: < P&#225;&#139;R           > 20 50 E1 8B 52 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002528BE0FE70, 16 bytes long.
 Data: <&#248;O&#225;&#139;R           > F8 4F E1 8B 52 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002528BE0E890, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000002528BE0F9C0, 16 bytes long.
 Data: <&#208;O&#225;&#139;R           > D0 4F E1 8B 52 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002528BE14FD0, 992 bytes long.
 Data: <&#192;&#249;&#224;&#139;R    &#232;&#224;&#139;R   > C0 F9 E0 8B 52 02 00 00 90 E8 E0 8B 52 02 00 00 
{89} normal block at 0x000002528BE0E7D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000002528BE0FD30, 16 bytes long.
 Data: <&#160;&#192;&#223;&#139;R           > A0 C0 DF 8B 52 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000002528BDFC0A0, 40 bytes long.
 Data: <0&#253;&#224;&#139;R   &#208;&#231;&#224;&#139;R   > 30 FD E0 8B 52 02 00 00 D0 E7 E0 8B 52 02 00 00 
{66} normal block at 0x000002528BE0F420, 16 bytes long.
 Data: < &#234;Q&#195;&#247;           > 80 EA 51 C3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002528BE0FDD0, 16 bytes long.
 Data: <@&#233;Q&#195;&#247;           > 40 E9 51 C3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002528BE0FC90, 16 bytes long.
 Data: <&#248;WN&#195;&#247;           > F8 57 4E C3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002528BE0F7E0, 16 bytes long.
 Data: <&#216;WN&#195;&#247;           > D8 57 4E C3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002528BE0F1A0, 16 bytes long.
 Data: <P N&#195;&#247;           > 50 04 4E C3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002528BE0F060, 16 bytes long.
 Data: <0 N&#195;&#247;           > 30 04 4E C3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002528BE0F150, 16 bytes long.
 Data: <&#224; N&#195;&#247;           > E0 02 4E C3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002528BE0F0B0, 16 bytes long.
 Data: <  N&#195;&#247;           > 10 04 4E C3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002528BE0FD80, 16 bytes long.
 Data: <p N&#195;&#247;           > 70 04 4E C3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002528BE0F6A0, 16 bytes long.
 Data: < &#192;L&#195;&#247;           > 18 C0 4C C3 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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