Task 38682473

Name test_673-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND8883_1
Workunit 31623990
Created 27 Oct 2026, 7:53:24 UTC
Sent 27 Oct 2026, 7:53:33 UTC
Report deadline 1 Nov 2026, 7:53:33 UTC
Received 27 Oct 2026, 9:03:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649098
Run time 23 min 19 sec
CPU time 20 min 31 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 746.15 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>
09:40:31 (41268): wrapper (7.9.26016): starting
09:40:31 (41268): 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
09:40:32 (41268): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:40:32 (41268): 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
10:03:05 (41268): C:/Windows/system32/cmd.exe exited; CPU time 1231.671875
10:03:05 (41268): 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: 24327425 bytes.
Dumping objects ->
{3835248} normal block at 0x000001D7070EC900, 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 0x000001D7051D4CC0, 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 0x000001D7051D5120, 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 0x000001D7051D50B0, 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 0x000001D7051D4E10, 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 0x000001D707135800, 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 0x000001D7051CF960, 8 bytes long.
 Data: <  y &#215;   > 00 00 79 05 D7 01 00 00 
{3833957} normal block at 0x000001D7051D0630, 8 bytes long.
 Data: <&#240;W  &#215;   > F0 57 19 07 D7 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001D7051D14B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D7051BEF60, 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 0x000001D7051D6340, 16 bytes long.
 Data: <xU  &#215;           > 78 55 1D 05 D7 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D7051D5F80, 16 bytes long.
 Data: <PU  &#215;           > 50 55 1D 05 D7 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D7051CEC10, 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 0x000001D7051D6250, 16 bytes long.
 Data: <(U  &#215;           > 28 55 1D 05 D7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D7051D5CB0, 16 bytes long.
 Data: < U  &#215;           > 00 55 1D 05 D7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D7051D6570, 16 bytes long.
 Data: <&#216;T  &#215;           > D8 54 1D 05 D7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D7051D5FD0, 16 bytes long.
 Data: <&#176;T  &#215;           > B0 54 1D 05 D7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D7051D4C50, 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 0x000001D7051D6200, 16 bytes long.
 Data: <&#216;&#228;  &#215;           > D8 E4 1C 05 D7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D7051CF2D0, 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 0x000001D7051D6110, 16 bytes long.
 Data: <&#176;&#228;  &#215;           > B0 E4 1C 05 D7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D7051D5F30, 16 bytes long.
 Data: < &#228;  &#215;           > 88 E4 1C 05 D7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D7051D5C10, 16 bytes long.
 Data: <`&#228;  &#215;           > 60 E4 1C 05 D7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D7051D6160, 16 bytes long.
 Data: <8&#228;  &#215;           > 38 E4 1C 05 D7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D7051D5BC0, 16 bytes long.
 Data: < &#228;  &#215;           > 10 E4 1C 05 D7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D7051D64D0, 16 bytes long.
 Data: <&#232;&#227;  &#215;           > E8 E3 1C 05 D7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D7051CF030, 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 0x000001D7051D5AD0, 16 bytes long.
 Data: <&#192;&#227;  &#215;           > C0 E3 1C 05 D7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D7051CE3C0, 320 bytes long.
 Data: <&#208;Z  &#215;   0&#240;  &#215;   > D0 5A 1D 05 D7 01 00 00 30 F0 1C 05 D7 01 00 00 
{274} normal block at 0x000001D7051D61B0, 16 bytes long.
 Data: < T  &#215;           > 90 54 1D 05 D7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D7051D62F0, 16 bytes long.
 Data: <hT  &#215;           > 68 54 1D 05 D7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D7051CF1B0, 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 0x000001D7051D6070, 16 bytes long.
 Data: <@T  &#215;           > 40 54 1D 05 D7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D7051CF210, 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 0x000001D7051D5C60, 16 bytes long.
 Data: < S  &#215;           > 88 53 1D 05 D7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D7051D5990, 16 bytes long.
 Data: <`S  &#215;           > 60 53 1D 05 D7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D7051D62A0, 16 bytes long.
 Data: <8S  &#215;           > 38 53 1D 05 D7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D7051D6520, 16 bytes long.
 Data: < S  &#215;           > 10 53 1D 05 D7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D7051D56C0, 16 bytes long.
 Data: <&#232;R  &#215;           > E8 52 1D 05 D7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D7051CFC30, 16 bytes long.
 Data: <&#192;R  &#215;           > C0 52 1D 05 D7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D7051CFBE0, 16 bytes long.
 Data: < K  &#215;           > 00 4B 1D 05 D7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D7051D4B00, 40 bytes long.
 Data: <&#224;&#251;  &#215;    X  &#215;   > E0 FB 1C 05 D7 01 00 00 00 58 13 07 D7 01 00 00 
{260} normal block at 0x000001D7051CF910, 16 bytes long.
 Data: <&#160;R  &#215;           > A0 52 1D 05 D7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D7051CF820, 16 bytes long.
 Data: <xR  &#215;           > 78 52 1D 05 D7 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D7051CEA30, 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 0x000001D7051CF8C0, 16 bytes long.
 Data: <PR  &#215;           > 50 52 1D 05 D7 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001D7051D5250, 992 bytes long.
 Data: <&#192;&#248;  &#215;   0&#234;  &#215;   > C0 F8 1C 05 D7 01 00 00 30 EA 1C 05 D7 01 00 00 
{92} normal block at 0x000001D7051CE8B0, 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 0x000001D7051D0590, 16 bytes long.
 Data: < &#254;  &#215;           > 00 FE 1B 05 D7 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001D7051BFE00, 40 bytes long.
 Data: <    &#215;   &#176;&#232;  &#215;   > 90 05 1D 05 D7 01 00 00 B0 E8 1C 05 D7 01 00 00 
{69} normal block at 0x000001D7051D0130, 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 0x000001D7051D00E0, 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 0x000001D7051CFDC0, 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 0x000001D7051D0270, 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 0x000001D7051CF9B0, 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 0x000001D7051CFD70, 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 0x000001D7051D03B0, 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 0x000001D7051D0090, 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 0x000001D7051D0360, 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 0x000001D7051D04F0, 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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