Task 38667056

Name test_987-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND3826_0
Workunit 31609748
Created 25 Oct 2026, 6:07:37 UTC
Sent 25 Oct 2026, 6:08:40 UTC
Report deadline 30 Oct 2026, 6:08:40 UTC
Received 25 Oct 2026, 7:45:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652183
Run time 23 min 56 sec
CPU time 20 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 718.93 MB
Peak swap size 11.44 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:22:05 (26296): wrapper (7.9.26016): starting
01:22:05 (26296): 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
01:22:06 (26296): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:22:06 (26296): 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\14\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\14\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
01:45:14 (26296): C:/Windows/system32/cmd.exe exited; CPU time 1211.109375
01:45:14 (26296): 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: 28180491 bytes.
Dumping objects ->
{3835255} normal block at 0x0000023D11732710, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x0000023D117326A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000023D11732630, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x0000023D11732550, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x0000023D117320F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x0000023D134AA130, 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) : {3835167} normal block at 0x0000023D1172C1C0, 8 bytes long.
 Data: <  k =   > 00 00 6B 11 3D 02 00 00 
{3833957} normal block at 0x0000023D1172C260, 8 bytes long.
 Data: <`&#207;@ =   > 60 CF 40 13 3D 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000023D1172EA10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023D1171EE80, 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 0x0000023D11733040, 16 bytes long.
 Data: <&#248;.s =           > F8 2E 73 11 3D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023D117334A0, 16 bytes long.
 Data: <&#208;.s =           > D0 2E 73 11 3D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023D1172DB50, 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 0x0000023D11733F90, 16 bytes long.
 Data: <&#168;.s =           > A8 2E 73 11 3D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023D117331D0, 16 bytes long.
 Data: < .s =           > 80 2E 73 11 3D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023D11733360, 16 bytes long.
 Data: <X.s =           > 58 2E 73 11 3D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023D11733EF0, 16 bytes long.
 Data: <0.s =           > 30 2E 73 11 3D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023D11732160, 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 0x0000023D11733180, 16 bytes long.
 Data: <x&#227;q =           > 78 E3 71 11 3D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023D1172D2B0, 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 0x0000023D11733220, 16 bytes long.
 Data: <P&#227;q =           > 50 E3 71 11 3D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023D11733720, 16 bytes long.
 Data: <(&#227;q =           > 28 E3 71 11 3D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023D11733C70, 16 bytes long.
 Data: < &#227;q =           > 00 E3 71 11 3D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023D11733950, 16 bytes long.
 Data: <&#216;&#226;q =           > D8 E2 71 11 3D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023D11733B30, 16 bytes long.
 Data: <&#176;&#226;q =           > B0 E2 71 11 3D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023D11733C20, 16 bytes long.
 Data: < &#226;q =           > 88 E2 71 11 3D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023D1172D1F0, 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 0x0000023D11733130, 16 bytes long.
 Data: <`&#226;q =           > 60 E2 71 11 3D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023D1171E260, 320 bytes long.
 Data: <01s =   &#240;&#209;r =   > 30 31 73 11 3D 02 00 00 F0 D1 72 11 3D 02 00 00 
{274} normal block at 0x0000023D11733F40, 16 bytes long.
 Data: < .s =           > 10 2E 73 11 3D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023D117332C0, 16 bytes long.
 Data: <&#232;-s =           > E8 2D 73 11 3D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023D1172CF50, 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 0x0000023D11733450, 16 bytes long.
 Data: <&#192;-s =           > C0 2D 73 11 3D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023D1172DDF0, 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 0x0000023D11733B80, 16 bytes long.
 Data: < -s =           > 08 2D 73 11 3D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023D11733EA0, 16 bytes long.
 Data: <&#224;,s =           > E0 2C 73 11 3D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023D11733590, 16 bytes long.
 Data: <&#184;,s =           > B8 2C 73 11 3D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023D11733540, 16 bytes long.
 Data: < ,s =           > 90 2C 73 11 3D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023D117330E0, 16 bytes long.
 Data: <h,s =           > 68 2C 73 11 3D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023D1172C990, 16 bytes long.
 Data: <@,s =           > 40 2C 73 11 3D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023D1172C8F0, 16 bytes long.
 Data: <p$s =           > 70 24 73 11 3D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023D11732470, 40 bytes long.
 Data: <&#240;&#200;r =   0&#161;J =   > F0 C8 72 11 3D 02 00 00 30 A1 4A 13 3D 02 00 00 
{260} normal block at 0x0000023D1172C850, 16 bytes long.
 Data: < ,s =           > 20 2C 73 11 3D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023D1172CDA0, 16 bytes long.
 Data: <&#248;+s =           > F8 2B 73 11 3D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000023D1172D430, 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 0x0000023D1172C760, 16 bytes long.
 Data: <&#208;+s =           > D0 2B 73 11 3D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000023D11732BD0, 992 bytes long.
 Data: <`&#199;r =   0&#212;r =   > 60 C7 72 11 3D 02 00 00 30 D4 72 11 3D 02 00 00 
{92} normal block at 0x0000023D1172D310, 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 0x0000023D1172C120, 16 bytes long.
 Data: < &#197;q =           > 90 C5 71 11 3D 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000023D1171C590, 40 bytes long.
 Data: < &#193;r =    &#211;r =   > 20 C1 72 11 3D 02 00 00 10 D3 72 11 3D 02 00 00 
{69} normal block at 0x0000023D1172CD50, 16 bytes long.
 Data: < &#234; k&#247;           > 80 EA 88 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023D1172C3F0, 16 bytes long.
 Data: <@&#233; k&#247;           > 40 E9 88 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023D1172CA30, 16 bytes long.
 Data: <&#248;W&#133;k&#247;           > F8 57 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023D1172C3A0, 16 bytes long.
 Data: <&#216;W&#133;k&#247;           > D8 57 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023D1172C9E0, 16 bytes long.
 Data: <P &#133;k&#247;           > 50 04 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023D1172CC60, 16 bytes long.
 Data: <0 &#133;k&#247;           > 30 04 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023D1172BF40, 16 bytes long.
 Data: <&#224; &#133;k&#247;           > E0 02 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023D1172C170, 16 bytes long.
 Data: <  &#133;k&#247;           > 10 04 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023D1172C8A0, 16 bytes long.
 Data: <p &#133;k&#247;           > 70 04 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000023D1172CD00, 16 bytes long.
 Data: < &#192;&#131;k&#247;           > 18 C0 83 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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