Task 38687543

Name test_585-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND8742_0
Workunit 31628929
Created 28 Oct 2026, 8:23:28 UTC
Sent 28 Oct 2026, 8:23:33 UTC
Report deadline 2 Nov 2026, 8:23:33 UTC
Received 28 Oct 2026, 8:51:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652004
Run time 26 min 44 sec
CPU time 25 min 7 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 48,740.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.70 MB
Peak swap size 13.02 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:24:43 (20684): wrapper (7.9.26016): starting
02:24:43 (20684): 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
02:24:44 (20684): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:24:44 (20684): 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\2\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\2\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
02:50:26 (20684): C:/Windows/system32/cmd.exe exited; CPU time 1507.125000
02:50:26 (20684): 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: 8805445 bytes.
Dumping objects ->
{3835258} normal block at 0x000002103F5F4A40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x000002103F5F4730, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x000002103F5F49D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835225} normal block at 0x000002103F5F45E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x000002103F5F47A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835183} normal block at 0x00000210413675B0, 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) : {3835169} normal block at 0x000002103F5EF450, 8 bytes long.
 Data: <  &#156;?    > 00 00 9C 3F 10 02 00 00 
{3833955} normal block at 0x000002103F5EF270, 8 bytes long.
 Data: < &#230;l?    > 20 E6 6C 3F 10 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002103F5F0F70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002103F5E6030, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000002103F5F5F20, 16 bytes long.
 Data: < V_?            > 08 56 5F 3F 10 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002103F5F6060, 16 bytes long.
 Data: <&#224;U_?            > E0 55 5F 3F 10 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002103F5EFCE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000002103F5F5CA0, 16 bytes long.
 Data: <&#184;U_?            > B8 55 5F 3F 10 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002103F5F61A0, 16 bytes long.
 Data: < U_?            > 90 55 5F 3F 10 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002103F5F6150, 16 bytes long.
 Data: <hU_?            > 68 55 5F 3F 10 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002103F5F6380, 16 bytes long.
 Data: <@U_?            > 40 55 5F 3F 10 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002103F5F4650, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000002103F5F5ED0, 16 bytes long.
 Data: <H ^?            > 48 8F 5E 3F 10 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002103F5EFBC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000002103F5F5B10, 16 bytes long.
 Data: <  ^?            > 20 8F 5E 3F 10 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002103F5F5AC0, 16 bytes long.
 Data: <&#248;&#142;^?            > F8 8E 5E 3F 10 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002103F5F6330, 16 bytes long.
 Data: <&#208;&#142;^?            > D0 8E 5E 3F 10 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002103F5F5E30, 16 bytes long.
 Data: <&#168;&#142;^?            > A8 8E 5E 3F 10 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002103F5F64C0, 16 bytes long.
 Data: < &#142;^?            > 80 8E 5E 3F 10 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002103F5F61F0, 16 bytes long.
 Data: <X&#142;^?            > 58 8E 5E 3F 10 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002103F5EFFE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000002103F5F5840, 16 bytes long.
 Data: <0&#142;^?            > 30 8E 5E 3F 10 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002103F5E8E30, 320 bytes long.
 Data: <@X_?    &#224;&#255;^?    > 40 58 5F 3F 10 02 00 00 E0 FF 5E 3F 10 02 00 00 
{273} normal block at 0x000002103F5F6650, 16 bytes long.
 Data: < U_?            > 20 55 5F 3F 10 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002103F5F6100, 16 bytes long.
 Data: <&#248;T_?            > F8 54 5F 3F 10 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002103F5EFB60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000002103F5F5A70, 16 bytes long.
 Data: <&#208;T_?            > D0 54 5F 3F 10 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002103F5F0100, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000002103F5F5DE0, 16 bytes long.
 Data: < T_?            > 18 54 5F 3F 10 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002103F5F5A20, 16 bytes long.
 Data: <&#240;S_?            > F0 53 5F 3F 10 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002103F5F62E0, 16 bytes long.
 Data: <&#200;S_?            > C8 53 5F 3F 10 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002103F5F5890, 16 bytes long.
 Data: <&#160;S_?            > A0 53 5F 3F 10 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002103F5F5BB0, 16 bytes long.
 Data: <xS_?            > 78 53 5F 3F 10 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002103F5EE5F0, 16 bytes long.
 Data: <PS_?            > 50 53 5F 3F 10 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002103F5EE5A0, 16 bytes long.
 Data: < H_?            > 10 48 5F 3F 10 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002103F5F4810, 40 bytes long.
 Data: <&#160;&#229;^?    &#176;u6A    > A0 E5 5E 3F 10 02 00 00 B0 75 36 41 10 02 00 00 
{259} normal block at 0x000002103F5EE550, 16 bytes long.
 Data: <0S_?            > 30 53 5F 3F 10 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002103F5EEAA0, 16 bytes long.
 Data: < S_?            > 08 53 5F 3F 10 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002103F5EFDA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000002103F5EEFA0, 16 bytes long.
 Data: <&#224;R_?            > E0 52 5F 3F 10 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002103F5F52E0, 992 bytes long.
 Data: <&#160;&#239;^?    &#160;&#253;^?    > A0 EF 5E 3F 10 02 00 00 A0 FD 5E 3F 10 02 00 00 
{91} normal block at 0x000002103F5EFE00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000002103F5EF4A0, 16 bytes long.
 Data: < &#234;]?            > 00 EA 5D 3F 10 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000002103F5DEA00, 40 bytes long.
 Data: <&#160;&#244;^?     &#254;^?    > A0 F4 5E 3F 10 02 00 00 00 FE 5E 3F 10 02 00 00 
{68} normal block at 0x000002103F5EF130, 16 bytes long.
 Data: < &#234; &#133;&#247;           > 80 EA 02 85 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002103F5EE870, 16 bytes long.
 Data: <@&#233; &#133;&#247;           > 40 E9 02 85 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002103F5EF1D0, 16 bytes long.
 Data: <&#248;W&#255;&#132;&#247;           > F8 57 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002103F5EE730, 16 bytes long.
 Data: <&#216;W&#255;&#132;&#247;           > D8 57 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002103F5EECD0, 16 bytes long.
 Data: <P &#255;&#132;&#247;           > 50 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002103F5EF400, 16 bytes long.
 Data: <0 &#255;&#132;&#247;           > 30 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002103F5EEBE0, 16 bytes long.
 Data: <&#224; &#255;&#132;&#247;           > E0 02 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002103F5EE6E0, 16 bytes long.
 Data: <  &#255;&#132;&#247;           > 10 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002103F5EF220, 16 bytes long.
 Data: <p &#255;&#132;&#247;           > 70 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002103F5EE820, 16 bytes long.
 Data: < &#192;&#253;&#132;&#247;           > 18 C0 FD 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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