Task 38676945

Name test_922-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND9923_0
Workunit 31618836
Created 26 Oct 2026, 12:48:23 UTC
Sent 26 Oct 2026, 12:48:28 UTC
Report deadline 31 Oct 2026, 12:48:28 UTC
Received 26 Oct 2026, 14:26:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654854
Run time 32 min 26 sec
CPU time 31 min 58 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 742.42 MB
Peak swap size 12.91 GB
Peak disk usage 3.76 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:54:08 (4472): wrapper (7.9.26016): starting
08:54:08 (4472): 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
08:54:09 (4472): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:54:09 (4472): 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
09:26:06 (4472): C:/Windows/system32/cmd.exe exited; CPU time 1918.093750
09:26:06 (4472): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 28429949 bytes.
Dumping objects ->
{3835546} normal block at 0x000002454F9BC7A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835535} normal block at 0x000002454DC44710, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835524} normal block at 0x000002454DC446A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835513} normal block at 0x000002454DC447F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x000002454DC449B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835471} normal block at 0x000002454FA092F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x000002454FA1E730, 102 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) : {3835457} normal block at 0x000002454DC3EF60, 8 bytes long.
 Data: <  &#193;ME   > 00 00 C1 4D 45 02 00 00 
{3834682} normal block at 0x000002454FA1EB50, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002454DC3E6F0, 8 bytes long.
 Data: <&#160;I&#155;OE   > A0 49 9B 4F 45 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002454DC40DA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002454DC36650, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002454DC45D80, 16 bytes long.
 Data: <&#248;b&#196;ME           > F8 62 C4 4D 45 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002454DC45600, 16 bytes long.
 Data: <&#208;b&#196;ME           > D0 62 C4 4D 45 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002454DC3F5F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002454DC45E20, 16 bytes long.
 Data: <&#168;b&#196;ME           > A8 62 C4 4D 45 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002454DC45330, 16 bytes long.
 Data: < b&#196;ME           > 80 62 C4 4D 45 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002454DC45510, 16 bytes long.
 Data: <Xb&#196;ME           > 58 62 C4 4D 45 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002454DC45AB0, 16 bytes long.
 Data: <0b&#196;ME           > 30 62 C4 4D 45 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002454DC44A20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002454DC45740, 16 bytes long.
 Data: <&#168;&#142;&#195;ME           > A8 8E C3 4D 45 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002454DC40070, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002454DC45CE0, 16 bytes long.
 Data: < &#142;&#195;ME           > 80 8E C3 4D 45 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002454DC454C0, 16 bytes long.
 Data: <X&#142;&#195;ME           > 58 8E C3 4D 45 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002454DC458D0, 16 bytes long.
 Data: <0&#142;&#195;ME           > 30 8E C3 4D 45 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002454DC45650, 16 bytes long.
 Data: < &#142;&#195;ME           > 08 8E C3 4D 45 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002454DC450B0, 16 bytes long.
 Data: <&#224; &#195;ME           > E0 8D C3 4D 45 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002454DC45010, 16 bytes long.
 Data: <&#184; &#195;ME           > B8 8D C3 4D 45 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002454DC3FF50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002454DC45D30, 16 bytes long.
 Data: <  &#195;ME           > 90 8D C3 4D 45 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002454DC38D90, 320 bytes long.
 Data: <0]&#196;ME   P&#255;&#195;ME   > 30 5D C4 4D 45 02 00 00 50 FF C3 4D 45 02 00 00 
{274} normal block at 0x000002454DC45060, 16 bytes long.
 Data: < b&#196;ME           > 10 62 C4 4D 45 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002454DC45A60, 16 bytes long.
 Data: <&#232;a&#196;ME           > E8 61 C4 4D 45 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002454DC402B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002454DC456A0, 16 bytes long.
 Data: <&#192;a&#196;ME           > C0 61 C4 4D 45 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002454DC3FE90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002454DC45C90, 16 bytes long.
 Data: < a&#196;ME           > 08 61 C4 4D 45 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002454DC457E0, 16 bytes long.
 Data: <&#224;`&#196;ME           > E0 60 C4 4D 45 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002454DC45380, 16 bytes long.
 Data: <&#184;`&#196;ME           > B8 60 C4 4D 45 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002454DC45560, 16 bytes long.
 Data: < `&#196;ME           > 90 60 C4 4D 45 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002454DC45100, 16 bytes long.
 Data: <h`&#196;ME           > 68 60 C4 4D 45 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002454DC455B0, 16 bytes long.
 Data: <@`&#196;ME           > 40 60 C4 4D 45 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002454DC45E70, 16 bytes long.
 Data: <&#208;H&#196;ME           > D0 48 C4 4D 45 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002454DC448D0, 40 bytes long.
 Data: <p^&#196;ME   &#240;&#146;&#160;OE   > 70 5E C4 4D 45 02 00 00 F0 92 A0 4F 45 02 00 00 
{260} normal block at 0x000002454DC45880, 16 bytes long.
 Data: < `&#196;ME           > 20 60 C4 4D 45 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002454DC45F60, 16 bytes long.
 Data: <&#248;_&#196;ME           > F8 5F C4 4D 45 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002454DC3FB30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002454DC45470, 16 bytes long.
 Data: <&#208;_&#196;ME           > D0 5F C4 4D 45 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002454DC45FD0, 992 bytes long.
 Data: <pT&#196;ME   0&#251;&#195;ME   > 70 54 C4 4D 45 02 00 00 30 FB C3 4D 45 02 00 00 
{92} normal block at 0x000002454DC3FEF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002454DC3EF10, 16 bytes long.
 Data: <@&#211;&#194;ME           > 40 D3 C2 4D 45 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002454DC2D340, 40 bytes long.
 Data: < &#239;&#195;ME   &#240;&#254;&#195;ME   > 10 EF C3 4D 45 02 00 00 F0 FE C3 4D 45 02 00 00 
{69} normal block at 0x000002454DC3F320, 16 bytes long.
 Data: < &#234;&#223;&#200;&#246;           > 80 EA DF C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002454DC3EB50, 16 bytes long.
 Data: <@&#233;&#223;&#200;&#246;           > 40 E9 DF C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002454DC3EB00, 16 bytes long.
 Data: <&#248;W&#220;&#200;&#246;           > F8 57 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002454DC3E9C0, 16 bytes long.
 Data: <&#216;W&#220;&#200;&#246;           > D8 57 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002454DC3E7E0, 16 bytes long.
 Data: <P &#220;&#200;&#246;           > 50 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002454DC3F190, 16 bytes long.
 Data: <0 &#220;&#200;&#246;           > 30 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002454DC3F410, 16 bytes long.
 Data: <&#224; &#220;&#200;&#246;           > E0 02 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002454DC3E880, 16 bytes long.
 Data: <  &#220;&#200;&#246;           > 10 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002454DC3EE70, 16 bytes long.
 Data: <p &#220;&#200;&#246;           > 70 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002454DC3F1E0, 16 bytes long.
 Data: < &#192;&#218;&#200;&#246;           > 18 C0 DA C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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