Task 38686955

Name test_835-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND4916_0
Workunit 31628361
Created 28 Oct 2026, 5:14:22 UTC
Sent 28 Oct 2026, 5:14:29 UTC
Report deadline 2 Nov 2026, 5:14:29 UTC
Received 28 Oct 2026, 5:44:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 601046
Run time 28 min 22 sec
CPU time 24 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 704.18 MB
Peak swap size 8.49 GB
Peak disk usage 3.98 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:16:12 (24660): wrapper (7.9.26016): starting
01:16:12 (24660): 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
01:16:14 (24660): Library/usr/bin/tar.exe exited; CPU time 0.031250
01:16:14 (24660): 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\21\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\21\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
01:43:04 (24660): C:/Windows/system32/cmd.exe exited; CPU time 1492.875000
01:43:04 (24660): called boinc_finish(0)
0 bytes in 0 Free Blocks.
462 bytes in 8 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: 32231423 bytes.
Dumping objects ->
{3835236} normal block at 0x0000025523874D90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x0000025523874D20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x0000025523874A80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835203} normal block at 0x0000025523874E70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x0000025523874CB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835161} normal block at 0x00000255256C5FC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x00000255256DE380, 103 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835147} normal block at 0x000002552386EC60, 8 bytes long.
 Data: <  @%U   > 00 00 40 25 55 02 00 00 
{3834543} normal block at 0x00000255256DEA60, 103 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000002552386EEE0, 8 bytes long.
 Data: < Ru%U   > 90 52 75 25 55 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000255238712C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002552385F200, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000025523875A30, 16 bytes long.
 Data: <&#216;f&#135;#U           > D8 66 87 23 55 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025523875E40, 16 bytes long.
 Data: <&#176;f&#135;#U           > B0 66 87 23 55 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002552386FB50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000025523876160, 16 bytes long.
 Data: < f&#135;#U           > 88 66 87 23 55 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025523875580, 16 bytes long.
 Data: <`f&#135;#U           > 60 66 87 23 55 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025523875990, 16 bytes long.
 Data: <8f&#135;#U           > 38 66 87 23 55 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025523875DF0, 16 bytes long.
 Data: < f&#135;#U           > 10 66 87 23 55 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025523874AF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000025523875DA0, 16 bytes long.
 Data: <&#248;&#142;&#134;#U           > F8 8E 86 23 55 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002552386FFD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000025523875D50, 16 bytes long.
 Data: <&#208;&#142;&#134;#U           > D0 8E 86 23 55 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025523875D00, 16 bytes long.
 Data: <&#168;&#142;&#134;#U           > A8 8E 86 23 55 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000255238760C0, 16 bytes long.
 Data: < &#142;&#134;#U           > 80 8E 86 23 55 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000255238758F0, 16 bytes long.
 Data: <X&#142;&#134;#U           > 58 8E 86 23 55 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000255238758A0, 16 bytes long.
 Data: <0&#142;&#134;#U           > 30 8E 86 23 55 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025523875C60, 16 bytes long.
 Data: < &#142;&#134;#U           > 08 8E 86 23 55 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025523870390, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000025523875C10, 16 bytes long.
 Data: <&#224; &#134;#U           > E0 8D 86 23 55 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025523868DE0, 320 bytes long.
 Data: < \&#135;#U     &#135;#U   > 10 5C 87 23 55 02 00 00 90 03 87 23 55 02 00 00 
{275} normal block at 0x00000255238753F0, 16 bytes long.
 Data: <&#240;e&#135;#U           > F0 65 87 23 55 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025523876110, 16 bytes long.
 Data: <&#200;e&#135;#U           > C8 65 87 23 55 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002552386FF70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000025523875FD0, 16 bytes long.
 Data: <&#160;e&#135;#U           > A0 65 87 23 55 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025523870330, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000025523875CB0, 16 bytes long.
 Data: <&#232;d&#135;#U           > E8 64 87 23 55 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025523876070, 16 bytes long.
 Data: <&#192;d&#135;#U           > C0 64 87 23 55 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025523875850, 16 bytes long.
 Data: < d&#135;#U           > 98 64 87 23 55 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025523876020, 16 bytes long.
 Data: <pd&#135;#U           > 70 64 87 23 55 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025523875B70, 16 bytes long.
 Data: <Hd&#135;#U           > 48 64 87 23 55 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025523875490, 16 bytes long.
 Data: < d&#135;#U           > 20 64 87 23 55 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025523875620, 16 bytes long.
 Data: <0I&#135;#U           > 30 49 87 23 55 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025523874930, 40 bytes long.
 Data: < V&#135;#U   &#192;_l%U   > 20 56 87 23 55 02 00 00 C0 5F 6C 25 55 02 00 00 
{261} normal block at 0x00000255238759E0, 16 bytes long.
 Data: < d&#135;#U           > 00 64 87 23 55 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025523875B20, 16 bytes long.
 Data: <&#216;c&#135;#U           > D8 63 87 23 55 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002552386FCD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000025523875710, 16 bytes long.
 Data: <&#176;c&#135;#U           > B0 63 87 23 55 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000255238763B0, 992 bytes long.
 Data: < W&#135;#U   &#208;&#252;&#134;#U   > 10 57 87 23 55 02 00 00 D0 FC 86 23 55 02 00 00 
{93} normal block at 0x00000255238702D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000002552386F610, 16 bytes long.
 Data: <&#208;&#245;&#133;#U           > D0 F5 85 23 55 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002552385F5D0, 40 bytes long.
 Data: < &#246;&#134;#U   &#208; &#135;#U   > 10 F6 86 23 55 02 00 00 D0 02 87 23 55 02 00 00 
{70} normal block at 0x000002552386F5C0, 16 bytes long.
 Data: < &#234;&#132; &#247;           > 80 EA 84 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002552386E9E0, 16 bytes long.
 Data: <@&#233;&#132; &#247;           > 40 E9 84 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002552386EE40, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002552386F160, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002552386EF30, 16 bytes long.
 Data: <P   &#247;           > 50 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002552386EF80, 16 bytes long.
 Data: <0   &#247;           > 30 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002552386F520, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002552386F2A0, 16 bytes long.
 Data: <    &#247;           > 10 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002552386F7A0, 16 bytes long.
 Data: <p   &#247;           > 70 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002552386ECB0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 7F 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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