Task 38666238

Name test_785-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND3212_1
Workunit 31608857
Created 25 Oct 2026, 2:24:33 UTC
Sent 25 Oct 2026, 4:31:11 UTC
Report deadline 30 Oct 2026, 4:31:11 UTC
Received 25 Oct 2026, 13:46:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 636179
Run time 3 hours 13 min 1 sec
CPU time 3 hours 13 min 1 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 50,491.95 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 763.59 MB
Peak swap size 10.04 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:34:48 (24744): wrapper (7.9.26016): starting
11:34:48 (24744): 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
11:34:49 (24744): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:34:49 (24744): 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
14:46:10 (24744): C:/Windows/system32/cmd.exe exited; CPU time 11581.312500
14:46:10 (24744): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 213090105 bytes.
Dumping objects ->
{3835481} normal block at 0x000001F655273F90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835470} normal block at 0x000001F653485270, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835459} normal block at 0x000001F653485970, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835448} normal block at 0x000001F6534857B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835437} normal block at 0x000001F6534852E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835406} normal block at 0x000001F6551EBC20, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835395} normal block at 0x000001F6534DDB70, 141 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) : {3835392} normal block at 0x000001F6534811A0, 8 bytes long.
 Data: <  &#137;S&#246;   > 00 00 89 53 F6 01 00 00 
{3834669} normal block at 0x000001F6534DDD10, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001F653480CF0, 8 bytes long.
 Data: < &#224;FS&#246;   > 90 E0 46 53 F6 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001F6534769C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001F653477990, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001F653486650, 16 bytes long.
 Data: <hqHS&#246;           > 68 71 48 53 F6 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001F653486470, 16 bytes long.
 Data: <@qHS&#246;           > 40 71 48 53 F6 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F65347EF40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001F6534865B0, 16 bytes long.
 Data: < qHS&#246;           > 18 71 48 53 F6 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F653485F20, 16 bytes long.
 Data: <&#240;pHS&#246;           > F0 70 48 53 F6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F653486A60, 16 bytes long.
 Data: <&#200;pHS&#246;           > C8 70 48 53 F6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F653486560, 16 bytes long.
 Data: <&#160;pHS&#246;           > A0 70 48 53 F6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F653485820, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001F653486D80, 16 bytes long.
 Data: <8 GS&#246;           > 38 03 47 53 F6 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F65347ECA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001F653486740, 16 bytes long.
 Data: <  GS&#246;           > 10 03 47 53 F6 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F653486380, 16 bytes long.
 Data: <&#232; GS&#246;           > E8 02 47 53 F6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F653486CE0, 16 bytes long.
 Data: <&#192; GS&#246;           > C0 02 47 53 F6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F653486AB0, 16 bytes long.
 Data: <  GS&#246;           > 98 02 47 53 F6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F653486060, 16 bytes long.
 Data: <p GS&#246;           > 70 02 47 53 F6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F6534868D0, 16 bytes long.
 Data: <H GS&#246;           > 48 02 47 53 F6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F65347F1E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001F653485ED0, 16 bytes long.
 Data: <  GS&#246;           > 20 02 47 53 F6 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F653470220, 320 bytes long.
 Data: <&#208;^HS&#246;   &#224;&#241;GS&#246;   > D0 5E 48 53 F6 01 00 00 E0 F1 47 53 F6 01 00 00 
{277} normal block at 0x000001F653486D30, 16 bytes long.
 Data: < pHS&#246;           > 80 70 48 53 F6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F653486B50, 16 bytes long.
 Data: <XpHS&#246;           > 58 70 48 53 F6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F65347F4E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001F6534866A0, 16 bytes long.
 Data: <0pHS&#246;           > 30 70 48 53 F6 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F65347EB20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001F653486BF0, 16 bytes long.
 Data: <xoHS&#246;           > 78 6F 48 53 F6 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F653486150, 16 bytes long.
 Data: <PoHS&#246;           > 50 6F 48 53 F6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F653486330, 16 bytes long.
 Data: <(oHS&#246;           > 28 6F 48 53 F6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F653486600, 16 bytes long.
 Data: < oHS&#246;           > 00 6F 48 53 F6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F6534861F0, 16 bytes long.
 Data: <&#216;nHS&#246;           > D8 6E 48 53 F6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F653486240, 16 bytes long.
 Data: <&#176;nHS&#246;           > B0 6E 48 53 F6 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F653486C40, 16 bytes long.
 Data: <PSHS&#246;           > 50 53 48 53 F6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F653485350, 40 bytes long.
 Data: <@lHS&#246;    &#188; U&#246;   > 40 6C 48 53 F6 01 00 00 20 BC 1E 55 F6 01 00 00 
{263} normal block at 0x000001F6534862E0, 16 bytes long.
 Data: < nHS&#246;           > 90 6E 48 53 F6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F6534863D0, 16 bytes long.
 Data: <hnHS&#246;           > 68 6E 48 53 F6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F65347F000, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001F653486BA0, 16 bytes long.
 Data: <@nHS&#246;           > 40 6E 48 53 F6 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F653486E40, 992 bytes long.
 Data: <&#160;kHS&#246;    &#240;GS&#246;   > A0 6B 48 53 F6 01 00 00 00 F0 47 53 F6 01 00 00 
{95} normal block at 0x000001F65347EC40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001F653480E80, 16 bytes long.
 Data: < &#238;FS&#246;           > 80 EE 46 53 F6 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001F65346EE80, 40 bytes long.
 Data: <  HS&#246;   @&#236;GS&#246;   > 80 0E 48 53 F6 01 00 00 40 EC 47 53 F6 01 00 00 
{72} normal block at 0x000001F653480FC0, 16 bytes long.
 Data: < &#234;pR&#246;           > 80 EA 70 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001F6534809D0, 16 bytes long.
 Data: <@&#233;pR&#246;           > 40 E9 70 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F653481560, 16 bytes long.
 Data: <&#248;WmR&#246;           > F8 57 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F653481010, 16 bytes long.
 Data: <&#216;WmR&#246;           > D8 57 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F6534816A0, 16 bytes long.
 Data: <P mR&#246;           > 50 04 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F653481830, 16 bytes long.
 Data: <0 mR&#246;           > 30 04 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F653480CA0, 16 bytes long.
 Data: <&#224; mR&#246;           > E0 02 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F6534811F0, 16 bytes long.
 Data: <  mR&#246;           > 10 04 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F653481650, 16 bytes long.
 Data: <p mR&#246;           > 70 04 6D 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F653480DE0, 16 bytes long.
 Data: < &#192;kR&#246;           > 18 C0 6B 52 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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