Task 38681452

Name test_892-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND4337_0
Workunit 31623117
Created 27 Oct 2026, 4:02:30 UTC
Sent 27 Oct 2026, 4:02:32 UTC
Report deadline 1 Nov 2026, 4:02:32 UTC
Received 27 Oct 2026, 8:17:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630191
Run time 36 min 8 sec
CPU time 33 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 759.95 MB
Peak swap size 12.92 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:41:55 (29860): wrapper (7.9.26016): starting
03:41:55 (29860): 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
03:41:56 (29860): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:41:56 (29860): 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\11\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\11\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
04:16:43 (29860): C:/Windows/system32/cmd.exe exited; CPU time 2022.906250
04:16:43 (29860): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 41550773 bytes.
Dumping objects ->
{3835559} normal block at 0x000002C1E8F7EEB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835548} normal block at 0x000002C1E71B5290, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835537} normal block at 0x000002C1E71B56F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835526} normal block at 0x000002C1E71B5370, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835515} normal block at 0x000002C1E71B5680, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835484} normal block at 0x000002C1E8FC7B90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835473} normal block at 0x000002C1E721B690, 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) : {3835470} normal block at 0x000002C1E71AE150, 8 bytes long.
 Data: <  &#132;&#231;&#193;   > 00 00 84 E7 C1 02 00 00 
{3834709} normal block at 0x000002C1E721ADA0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000002C1E71ADC50, 8 bytes long.
 Data: <PY &#233;&#193;   > 50 59 05 E9 C1 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002C1E71B16D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002C1E71A6AD0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000002C1E71B6BE0, 16 bytes long.
 Data: <&#184;u &#231;&#193;           > B8 75 1B E7 C1 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002C1E71B6640, 16 bytes long.
 Data: < u &#231;&#193;           > 90 75 1B E7 C1 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002C1E71B00A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000002C1E71B6410, 16 bytes long.
 Data: <hu &#231;&#193;           > 68 75 1B E7 C1 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002C1E71B6FA0, 16 bytes long.
 Data: <@u &#231;&#193;           > 40 75 1B E7 C1 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002C1E71B7220, 16 bytes long.
 Data: < u &#231;&#193;           > 18 75 1B E7 C1 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002C1E71B6730, 16 bytes long.
 Data: <&#240;t &#231;&#193;           > F0 74 1B E7 C1 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002C1E71B55A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000002C1E71B6B90, 16 bytes long.
 Data: < ^ &#231;&#193;           > 88 5E 1B E7 C1 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002C1E71B0700, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000002C1E71B71D0, 16 bytes long.
 Data: <`^ &#231;&#193;           > 60 5E 1B E7 C1 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002C1E71B6550, 16 bytes long.
 Data: <8^ &#231;&#193;           > 38 5E 1B E7 C1 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002C1E71B6F50, 16 bytes long.
 Data: < ^ &#231;&#193;           > 10 5E 1B E7 C1 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002C1E71B6780, 16 bytes long.
 Data: <&#232;] &#231;&#193;           > E8 5D 1B E7 C1 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002C1E71B69B0, 16 bytes long.
 Data: <&#192;] &#231;&#193;           > C0 5D 1B E7 C1 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002C1E71B6D20, 16 bytes long.
 Data: < ] &#231;&#193;           > 98 5D 1B E7 C1 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002C1E71B0D00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000002C1E71B66E0, 16 bytes long.
 Data: <p] &#231;&#193;           > 70 5D 1B E7 C1 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002C1E71B5D70, 320 bytes long.
 Data: <&#224;f &#231;&#193;      &#231;&#193;   > E0 66 1B E7 C1 02 00 00 00 0D 1B E7 C1 02 00 00 
{278} normal block at 0x000002C1E71B6AA0, 16 bytes long.
 Data: <&#208;t &#231;&#193;           > D0 74 1B E7 C1 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002C1E71B6870, 16 bytes long.
 Data: <&#168;t &#231;&#193;           > A8 74 1B E7 C1 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002C1E71B0040, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000002C1E71B7180, 16 bytes long.
 Data: < t &#231;&#193;           > 80 74 1B E7 C1 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002C1E71AFFE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000002C1E71B6DC0, 16 bytes long.
 Data: <&#200;s &#231;&#193;           > C8 73 1B E7 C1 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002C1E71B6960, 16 bytes long.
 Data: <&#160;s &#231;&#193;           > A0 73 1B E7 C1 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002C1E71B7130, 16 bytes long.
 Data: <xs &#231;&#193;           > 78 73 1B E7 C1 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002C1E71B68C0, 16 bytes long.
 Data: <Ps &#231;&#193;           > 50 73 1B E7 C1 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002C1E71B6500, 16 bytes long.
 Data: <(s &#231;&#193;           > 28 73 1B E7 C1 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002C1E71B6A50, 16 bytes long.
 Data: < s &#231;&#193;           > 00 73 1B E7 C1 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002C1E71B6320, 16 bytes long.
 Data: <`W &#231;&#193;           > 60 57 1B E7 C1 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002C1E71B5760, 40 bytes long.
 Data: < c &#231;&#193;    {&#252;&#232;&#193;   > 20 63 1B E7 C1 02 00 00 90 7B FC E8 C1 02 00 00 
{264} normal block at 0x000002C1E71B70E0, 16 bytes long.
 Data: <&#224;r &#231;&#193;           > E0 72 1B E7 C1 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002C1E71B6F00, 16 bytes long.
 Data: <&#184;r &#231;&#193;           > B8 72 1B E7 C1 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002C1E71B0A60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000002C1E71B6910, 16 bytes long.
 Data: < r &#231;&#193;           > 90 72 1B E7 C1 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002C1E71B7290, 992 bytes long.
 Data: < i &#231;&#193;   `  &#231;&#193;   > 10 69 1B E7 C1 02 00 00 60 0A 1B E7 C1 02 00 00 
{96} normal block at 0x000002C1E71AFE00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000002C1E71ADED0, 16 bytes long.
 Data: < &#205; &#231;&#193;           > 00 CD 19 E7 C1 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002C1E719CD00, 40 bytes long.
 Data: <&#208;&#222; &#231;&#193;    &#254; &#231;&#193;   > D0 DE 1A E7 C1 02 00 00 00 FE 1A E7 C1 02 00 00 
{73} normal block at 0x000002C1E71AE4C0, 16 bytes long.
 Data: < &#234;1P&#247;           > 80 EA 31 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002C1E71ADCF0, 16 bytes long.
 Data: <@&#233;1P&#247;           > 40 E9 31 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002C1E71AE330, 16 bytes long.
 Data: <&#248;W.P&#247;           > F8 57 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002C1E71AE100, 16 bytes long.
 Data: <&#216;W.P&#247;           > D8 57 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002C1E71AE740, 16 bytes long.
 Data: <P .P&#247;           > 50 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002C1E71ADAC0, 16 bytes long.
 Data: <0 .P&#247;           > 30 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002C1E71AE650, 16 bytes long.
 Data: <&#224; .P&#247;           > E0 02 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002C1E71AE600, 16 bytes long.
 Data: <  .P&#247;           > 10 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002C1E71ADE30, 16 bytes long.
 Data: <p .P&#247;           > 70 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002C1E71AE830, 16 bytes long.
 Data: < &#192;,P&#247;           > 18 C0 2C 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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