Task 38686914

Name test_209-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND5102_0
Workunit 31628323
Created 28 Oct 2026, 5:03:33 UTC
Sent 28 Oct 2026, 5:03:36 UTC
Report deadline 2 Nov 2026, 5:03:36 UTC
Received 28 Oct 2026, 6:03:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615074
Run time 59 min 30 sec
CPU time 55 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,856.09 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 700.60 MB
Peak swap size 11.28 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:06:04 (11916): wrapper (7.9.26016): starting
06:06:04 (11916): 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
06:06:06 (11916): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:06:06 (11916): 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\28\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\28\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
07:03:23 (11916): C:/Windows/system32/cmd.exe exited; CPU time 3325.328125
07:03:23 (11916): 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: 47310357 bytes.
Dumping objects ->
{3835220} normal block at 0x00000260D11476A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x00000260D1147160, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x00000260D1147B00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835187} normal block at 0x00000260D1147710, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835176} normal block at 0x00000260D1146F30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835145} normal block at 0x00000260D2E0D190, 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) : {3835132} normal block at 0x00000260D1119120, 8 bytes long.
 Data: <   &#209;`   > 00 00 08 D1 60 02 00 00 
{3833949} normal block at 0x00000260D1119080, 8 bytes long.
 Data: <  &#234;&#210;`   > 90 90 EA D2 60 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000260D11229E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000260D111EC80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x00000260D11246F0, 16 bytes long.
 Data: < L &#209;`           > 18 4C 12 D1 60 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000260D1123ED0, 16 bytes long.
 Data: <&#240;K &#209;`           > F0 4B 12 D1 60 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000260D111F7F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x00000260D1123E80, 16 bytes long.
 Data: <&#200;K &#209;`           > C8 4B 12 D1 60 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000260D1123E30, 16 bytes long.
 Data: <&#160;K &#209;`           > A0 4B 12 D1 60 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000260D1124150, 16 bytes long.
 Data: <xK &#209;`           > 78 4B 12 D1 60 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000260D1123DE0, 16 bytes long.
 Data: <PK &#209;`           > 50 4B 12 D1 60 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000260D111DAD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x00000260D11244C0, 16 bytes long.
 Data: < &#236; &#209;`           > 18 EC 11 D1 60 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000260D111FAF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x00000260D1124240, 16 bytes long.
 Data: <&#240;&#235; &#209;`           > F0 EB 11 D1 60 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000260D1123D40, 16 bytes long.
 Data: <&#200;&#235; &#209;`           > C8 EB 11 D1 60 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000260D1123CF0, 16 bytes long.
 Data: <&#160;&#235; &#209;`           > A0 EB 11 D1 60 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000260D1124650, 16 bytes long.
 Data: <x&#235; &#209;`           > 78 EB 11 D1 60 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000260D11247E0, 16 bytes long.
 Data: <P&#235; &#209;`           > 50 EB 11 D1 60 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000260D1123A20, 16 bytes long.
 Data: <(&#235; &#209;`           > 28 EB 11 D1 60 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000260D111F4F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x00000260D1123C50, 16 bytes long.
 Data: < &#235; &#209;`           > 00 EB 11 D1 60 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000260D111EB00, 320 bytes long.
 Data: <P< &#209;`   &#240;&#244; &#209;`   > 50 3C 12 D1 60 02 00 00 F0 F4 11 D1 60 02 00 00 
{270} normal block at 0x00000260D1123D90, 16 bytes long.
 Data: <0K &#209;`           > 30 4B 12 D1 60 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000260D1123B60, 16 bytes long.
 Data: < K &#209;`           > 08 4B 12 D1 60 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000260D111FA90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x00000260D1124470, 16 bytes long.
 Data: <&#224;J &#209;`           > E0 4A 12 D1 60 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000260D111F3D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x00000260D1124510, 16 bytes long.
 Data: <(J &#209;`           > 28 4A 12 D1 60 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000260D11239D0, 16 bytes long.
 Data: < J &#209;`           > 00 4A 12 D1 60 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000260D1124100, 16 bytes long.
 Data: <&#216;I &#209;`           > D8 49 12 D1 60 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000260D1124600, 16 bytes long.
 Data: <&#176;I &#209;`           > B0 49 12 D1 60 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000260D1123930, 16 bytes long.
 Data: < I &#209;`           > 88 49 12 D1 60 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000260D1124420, 16 bytes long.
 Data: <`I &#209;`           > 60 49 12 D1 60 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000260D1123CA0, 16 bytes long.
 Data: < &#220; &#209;`           > 90 DC 11 D1 60 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000260D111DC90, 40 bytes long.
 Data: <&#160;< &#209;`    &#209;&#224;&#210;`   > A0 3C 12 D1 60 02 00 00 90 D1 E0 D2 60 02 00 00 
{256} normal block at 0x00000260D1124380, 16 bytes long.
 Data: <@I &#209;`           > 40 49 12 D1 60 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000260D1124330, 16 bytes long.
 Data: < I &#209;`           > 18 49 12 D1 60 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000260D111EFB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x00000260D1123F20, 16 bytes long.
 Data: <&#240;H &#209;`           > F0 48 12 D1 60 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000260D11248F0, 992 bytes long.
 Data: < ? &#209;`   &#176;&#239; &#209;`   > 20 3F 12 D1 60 02 00 00 B0 EF 11 D1 60 02 00 00 
{88} normal block at 0x00000260D111F1F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x00000260D1118B30, 16 bytes long.
 Data: < &#217; &#209;`           > 10 D9 11 D1 60 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x00000260D111D910, 40 bytes long.
 Data: <0&#139; &#209;`   &#240;&#241; &#209;`   > 30 8B 11 D1 60 02 00 00 F0 F1 11 D1 60 02 00 00 
{65} normal block at 0x00000260D1119990, 16 bytes long.
 Data: < &#234;&#206; &#246;           > 80 EA CE 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000260D1119030, 16 bytes long.
 Data: <@&#233;&#206; &#246;           > 40 E9 CE 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000260D1118AE0, 16 bytes long.
 Data: <&#248;W&#203; &#246;           > F8 57 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000260D11192B0, 16 bytes long.
 Data: <&#216;W&#203; &#246;           > D8 57 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000260D11196C0, 16 bytes long.
 Data: <P &#203; &#246;           > 50 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000260D1119170, 16 bytes long.
 Data: <0 &#203; &#246;           > 30 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000260D1119A30, 16 bytes long.
 Data: <&#224; &#203; &#246;           > E0 02 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000260D1119760, 16 bytes long.
 Data: <  &#203; &#246;           > 10 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000260D11193F0, 16 bytes long.
 Data: <p &#203; &#246;           > 70 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000260D1119670, 16 bytes long.
 Data: < &#192;&#201; &#246;           > 18 C0 C9 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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