Task 38670317

Name test_224-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND8802_0
Workunit 31612572
Created 25 Oct 2026, 17:08:46 UTC
Sent 25 Oct 2026, 17:08:52 UTC
Report deadline 30 Oct 2026, 17:08:52 UTC
Received 25 Oct 2026, 17:30:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 636179
Run time 19 min 22 sec
CPU time 18 min 6 sec
Validate state Valid
Credit 60,000.00
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 755.64 MB
Peak swap size 10.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:11:04 (44196): wrapper (7.9.26016): starting
18:11:04 (44196): 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
18:11:05 (44196): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:11:05 (44196): 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
18:29:32 (44196): C:/Windows/system32/cmd.exe exited; CPU time 1086.843750
18:29:32 (44196): 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: 20965617 bytes.
Dumping objects ->
{3835481} normal block at 0x000001EAA9364380, 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 0x000001EAA7695820, 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 0x000001EAA76957B0, 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 0x000001EAA7695740, 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 0x000001EAA7695580, 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 0x000001EAA92D6020, 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 0x000001EAA76EE460, 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 0x000001EAA7690BB0, 8 bytes long.
 Data: <  a&#167;&#234;   > 00 00 61 A7 EA 01 00 00 
{3834669} normal block at 0x000001EAA76EE390, 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 0x000001EAA7690B60, 8 bytes long.
 Data: < &#224;g&#167;&#234;   > 90 E0 67 A7 EA 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001EAA7687000, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001EAA7687CF0, 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 0x000001EAA76966A0, 16 bytes long.
 Data: <hqi&#167;&#234;           > 68 71 69 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001EAA76968D0, 16 bytes long.
 Data: <@qi&#167;&#234;           > 40 71 69 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001EAA768F660, 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 0x000001EAA7696150, 16 bytes long.
 Data: < qi&#167;&#234;           > 18 71 69 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001EAA7696330, 16 bytes long.
 Data: <&#240;pi&#167;&#234;           > F0 70 69 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EAA76961A0, 16 bytes long.
 Data: <&#200;pi&#167;&#234;           > C8 70 69 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EAA7696B50, 16 bytes long.
 Data: <&#160;pi&#167;&#234;           > A0 70 69 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EAA76952E0, 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 0x000001EAA7696600, 16 bytes long.
 Data: <8 h&#167;&#234;           > 38 03 68 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EAA768ED60, 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 0x000001EAA7696240, 16 bytes long.
 Data: <  h&#167;&#234;           > 10 03 68 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001EAA76965B0, 16 bytes long.
 Data: <&#232; h&#167;&#234;           > E8 02 68 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EAA7696560, 16 bytes long.
 Data: <&#192; h&#167;&#234;           > C0 02 68 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EAA7696510, 16 bytes long.
 Data: <  h&#167;&#234;           > 98 02 68 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EAA7696A60, 16 bytes long.
 Data: <p h&#167;&#234;           > 70 02 68 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EAA7696CE0, 16 bytes long.
 Data: <H h&#167;&#234;           > 48 02 68 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EAA768F840, 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 0x000001EAA7696420, 16 bytes long.
 Data: <  h&#167;&#234;           > 20 02 68 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EAA7680220, 320 bytes long.
 Data: < di&#167;&#234;   @&#248;h&#167;&#234;   > 20 64 69 A7 EA 01 00 00 40 F8 68 A7 EA 01 00 00 
{277} normal block at 0x000001EAA7696C40, 16 bytes long.
 Data: < pi&#167;&#234;           > 80 70 69 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EAA7696880, 16 bytes long.
 Data: <Xpi&#167;&#234;           > 58 70 69 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EAA768ED00, 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 0x000001EAA7696380, 16 bytes long.
 Data: <0pi&#167;&#234;           > 30 70 69 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EAA768F600, 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 0x000001EAA7696B00, 16 bytes long.
 Data: <xoi&#167;&#234;           > 78 6F 69 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EAA7696BF0, 16 bytes long.
 Data: <Poi&#167;&#234;           > 50 6F 69 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EAA76967E0, 16 bytes long.
 Data: <(oi&#167;&#234;           > 28 6F 69 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EAA76962E0, 16 bytes long.
 Data: < oi&#167;&#234;           > 00 6F 69 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EAA7696A10, 16 bytes long.
 Data: <&#216;ni&#167;&#234;           > D8 6E 69 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EAA7696010, 16 bytes long.
 Data: <&#176;ni&#167;&#234;           > B0 6E 69 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EAA76964C0, 16 bytes long.
 Data: <pRi&#167;&#234;           > 70 52 69 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EAA7695270, 40 bytes long.
 Data: <&#192;di&#167;&#234;    `-&#169;&#234;   > C0 64 69 A7 EA 01 00 00 20 60 2D A9 EA 01 00 00 
{263} normal block at 0x000001EAA7696650, 16 bytes long.
 Data: < ni&#167;&#234;           > 90 6E 69 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EAA7696C90, 16 bytes long.
 Data: <hni&#167;&#234;           > 68 6E 69 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EAA768F060, 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 0x000001EAA7696290, 16 bytes long.
 Data: <@ni&#167;&#234;           > 40 6E 69 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001EAA7696E40, 992 bytes long.
 Data: < bi&#167;&#234;   `&#240;h&#167;&#234;   > 90 62 69 A7 EA 01 00 00 60 F0 68 A7 EA 01 00 00 
{95} normal block at 0x000001EAA768F7E0, 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 0x000001EAA7691060, 16 bytes long.
 Data: < &#238;g&#167;&#234;           > 80 EE 67 A7 EA 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001EAA767EE80, 40 bytes long.
 Data: <` i&#167;&#234;   &#224;&#247;h&#167;&#234;   > 60 10 69 A7 EA 01 00 00 E0 F7 68 A7 EA 01 00 00 
{72} normal block at 0x000001EAA7691290, 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 0x000001EAA76914C0, 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 0x000001EAA7690FC0, 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 0x000001EAA76911A0, 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 0x000001EAA7690C00, 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 0x000001EAA76910B0, 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 0x000001EAA76913D0, 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 0x000001EAA7690ED0, 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 0x000001EAA7690E30, 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 0x000001EAA7691420, 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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