Task 38687415

Name test_535-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND4973_0
Workunit 31628806
Created 28 Oct 2026, 7:41:13 UTC
Sent 28 Oct 2026, 7:41:14 UTC
Report deadline 2 Nov 2026, 7:41:14 UTC
Received 28 Oct 2026, 8:00:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649098
Run time 18 min 17 sec
CPU time 17 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 91,065.39 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 746.40 MB
Peak swap size 19.21 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
08:42:17 (42512): wrapper (7.9.26016): starting
08:42:17 (42512): 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
08:42:18 (42512): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:42:18 (42512): 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\9\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\9\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
08:59:49 (42512): C:/Windows/system32/cmd.exe exited; CPU time 1046.140625
08:59:49 (42512): 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: 19095669 bytes.
Dumping objects ->
{3835248} normal block at 0x00000275C85BC9E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x00000275C6674D30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x00000275C6674CC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835215} normal block at 0x00000275C6674BE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x00000275C6674A90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835173} normal block at 0x00000275C8606C00, 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) : {3835160} normal block at 0x00000275C666F910, 8 bytes long.
 Data: <  &#191;&#198;u   > 00 00 BF C6 75 02 00 00 
{3833957} normal block at 0x00000275C666FBE0, 8 bytes long.
 Data: < &#215;e&#198;u   > 80 D7 65 C6 75 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000275C6671230, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000275C665E980, 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 0x00000275C6675A30, 16 bytes long.
 Data: <xUg&#198;u           > 78 55 67 C6 75 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000275C6676570, 16 bytes long.
 Data: <PUg&#198;u           > 50 55 67 C6 75 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000275C666E730, 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 0x00000275C66762A0, 16 bytes long.
 Data: <(Ug&#198;u           > 28 55 67 C6 75 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000275C6675990, 16 bytes long.
 Data: < Ug&#198;u           > 00 55 67 C6 75 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000275C6675940, 16 bytes long.
 Data: <&#216;Tg&#198;u           > D8 54 67 C6 75 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000275C6675710, 16 bytes long.
 Data: <&#176;Tg&#198;u           > B0 54 67 C6 75 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000275C6674C50, 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 0x00000275C66758A0, 16 bytes long.
 Data: <&#216;&#228;f&#198;u           > D8 E4 66 C6 75 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000275C666E8B0, 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 0x00000275C6675B20, 16 bytes long.
 Data: <&#176;&#228;f&#198;u           > B0 E4 66 C6 75 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000275C6675850, 16 bytes long.
 Data: < &#228;f&#198;u           > 88 E4 66 C6 75 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000275C6676430, 16 bytes long.
 Data: <`&#228;f&#198;u           > 60 E4 66 C6 75 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000275C6675800, 16 bytes long.
 Data: <8&#228;f&#198;u           > 38 E4 66 C6 75 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000275C6675CB0, 16 bytes long.
 Data: < &#228;f&#198;u           > 10 E4 66 C6 75 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000275C6676200, 16 bytes long.
 Data: <&#232;&#227;f&#198;u           > E8 E3 66 C6 75 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000275C666F570, 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 0x00000275C6675DF0, 16 bytes long.
 Data: <&#192;&#227;f&#198;u           > C0 E3 66 C6 75 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000275C666E3C0, 320 bytes long.
 Data: <&#240;]g&#198;u   p&#245;f&#198;u   > F0 5D 67 C6 75 02 00 00 70 F5 66 C6 75 02 00 00 
{274} normal block at 0x00000275C66758F0, 16 bytes long.
 Data: < Tg&#198;u           > 90 54 67 C6 75 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000275C66763E0, 16 bytes long.
 Data: <hTg&#198;u           > 68 54 67 C6 75 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000275C666E790, 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 0x00000275C6676390, 16 bytes long.
 Data: <@Tg&#198;u           > 40 54 67 C6 75 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000275C666E9D0, 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 0x00000275C6675EE0, 16 bytes long.
 Data: < Sg&#198;u           > 88 53 67 C6 75 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000275C6675C10, 16 bytes long.
 Data: <`Sg&#198;u           > 60 53 67 C6 75 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000275C6676340, 16 bytes long.
 Data: <8Sg&#198;u           > 38 53 67 C6 75 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000275C6676610, 16 bytes long.
 Data: < Sg&#198;u           > 10 53 67 C6 75 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000275C6676110, 16 bytes long.
 Data: <&#232;Rg&#198;u           > E8 52 67 C6 75 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000275C666FB40, 16 bytes long.
 Data: <&#192;Rg&#198;u           > C0 52 67 C6 75 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000275C666FAF0, 16 bytes long.
 Data: <&#240;Ng&#198;u           > F0 4E 67 C6 75 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000275C6674EF0, 40 bytes long.
 Data: <&#240;&#250;f&#198;u    l`&#200;u   > F0 FA 66 C6 75 02 00 00 00 6C 60 C8 75 02 00 00 
{260} normal block at 0x00000275C666FA50, 16 bytes long.
 Data: <&#160;Rg&#198;u           > A0 52 67 C6 75 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000275C666FA00, 16 bytes long.
 Data: <xRg&#198;u           > 78 52 67 C6 75 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000275C666E850, 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 0x00000275C66704A0, 16 bytes long.
 Data: <PRg&#198;u           > 50 52 67 C6 75 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000275C6675250, 992 bytes long.
 Data: <&#160; g&#198;u   P&#232;f&#198;u   > A0 04 67 C6 75 02 00 00 50 E8 66 C6 75 02 00 00 
{92} normal block at 0x00000275C666EF70, 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 0x00000275C666FFA0, 16 bytes long.
 Data: <p&#252;e&#198;u           > 70 FC 65 C6 75 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000275C665FC70, 40 bytes long.
 Data: <&#160;&#255;f&#198;u   p&#239;f&#198;u   > A0 FF 66 C6 75 02 00 00 70 EF 66 C6 75 02 00 00 
{69} normal block at 0x00000275C666F8C0, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 8D 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000275C66701D0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 8D 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000275C666F6E0, 16 bytes long.
 Data: <&#248;W&#138; &#246;           > F8 57 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000275C666FD70, 16 bytes long.
 Data: <&#216;W&#138; &#246;           > D8 57 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000275C666F870, 16 bytes long.
 Data: <P &#138; &#246;           > 50 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000275C6670540, 16 bytes long.
 Data: <0 &#138; &#246;           > 30 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000275C6670590, 16 bytes long.
 Data: <&#224; &#138; &#246;           > E0 02 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000275C666FEB0, 16 bytes long.
 Data: <  &#138; &#246;           > 10 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000275C6670450, 16 bytes long.
 Data: <p &#138; &#246;           > 70 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000275C666FF50, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 88 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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