Task 38649876

Name test_5-GPUGRID_TEST_ATM_4STEP_20261023-1-4-RND3651_1
Workunit 31594170
Created 23 Oct 2026, 22:16:20 UTC
Sent 23 Oct 2026, 22:33:38 UTC
Report deadline 28 Oct 2026, 22:33:38 UTC
Received 24 Oct 2026, 0:19:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 601046
Run time 26 min 35 sec
CPU time 23 min 15 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 705.51 MB
Peak swap size 8.49 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:53:45 (10752): wrapper (7.9.26016): starting
19:53:45 (10752): 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
19:53:46 (10752): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:53:46 (10752): 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
20:18:47 (10752): C:/Windows/system32/cmd.exe exited; CPU time 1395.046875
20:18:47 (10752): 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: 29566593 bytes.
Dumping objects ->
{3835236} normal block at 0x00000211A9EC5170, 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 0x00000211A9EC5100, 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 0x00000211A9EC4ED0, 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 0x00000211A9EC4DF0, 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 0x00000211A9EC5020, 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 0x00000211ABC19E30, 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 0x00000211ABC2EE40, 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 0x00000211A9EBF3F0, 8 bytes long.
 Data: <  D&#170;    > 00 00 44 AA 11 02 00 00 
{3834543} normal block at 0x00000211ABC2ED90, 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 0x00000211A9EBED60, 8 bytes long.
 Data: <PI&#202;&#171;    > 50 49 CA AB 11 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000211A9EC0DD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000211A9EB6720, 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 0x00000211A9EC5D30, 16 bytes long.
 Data: < k&#236;&#169;            > 18 6B EC A9 11 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000211A9EC5E70, 16 bytes long.
 Data: <&#240;j&#236;&#169;            > F0 6A EC A9 11 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000211A9EC04A0, 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 0x00000211A9EC5BA0, 16 bytes long.
 Data: <&#200;j&#236;&#169;            > C8 6A EC A9 11 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000211A9EC5B50, 16 bytes long.
 Data: <&#160;j&#236;&#169;            > A0 6A EC A9 11 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000211A9EC5DD0, 16 bytes long.
 Data: <xj&#236;&#169;            > 78 6A EC A9 11 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000211A9EC6140, 16 bytes long.
 Data: <Pj&#236;&#169;            > 50 6A EC A9 11 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000211A9EC5090, 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 0x00000211A9EC5D80, 16 bytes long.
 Data: <x&#232;&#235;&#169;            > 78 E8 EB A9 11 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000211A9EBFF00, 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 0x00000211A9EC63C0, 16 bytes long.
 Data: <P&#232;&#235;&#169;            > 50 E8 EB A9 11 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000211A9EC66E0, 16 bytes long.
 Data: <(&#232;&#235;&#169;            > 28 E8 EB A9 11 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000211A9EC5F10, 16 bytes long.
 Data: < &#232;&#235;&#169;            > 00 E8 EB A9 11 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000211A9EC65F0, 16 bytes long.
 Data: <&#216;&#231;&#235;&#169;            > D8 E7 EB A9 11 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000211A9EC62D0, 16 bytes long.
 Data: <&#176;&#231;&#235;&#169;            > B0 E7 EB A9 11 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000211A9EC6550, 16 bytes long.
 Data: < &#231;&#235;&#169;            > 88 E7 EB A9 11 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000211A9EC0440, 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 0x00000211A9EC5830, 16 bytes long.
 Data: <`&#231;&#235;&#169;            > 60 E7 EB A9 11 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000211A9EBE760, 320 bytes long.
 Data: <0X&#236;&#169;    @ &#236;&#169;    > 30 58 EC A9 11 02 00 00 40 04 EC A9 11 02 00 00 
{275} normal block at 0x00000211A9EC5BF0, 16 bytes long.
 Data: <0j&#236;&#169;            > 30 6A EC A9 11 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000211A9EC5B00, 16 bytes long.
 Data: < j&#236;&#169;            > 08 6A EC A9 11 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000211A9EC01A0, 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 0x00000211A9EC6280, 16 bytes long.
 Data: <&#224;i&#236;&#169;            > E0 69 EC A9 11 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000211A9EC0380, 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 0x00000211A9EC5A60, 16 bytes long.
 Data: <(i&#236;&#169;            > 28 69 EC A9 11 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000211A9EC5920, 16 bytes long.
 Data: < i&#236;&#169;            > 00 69 EC A9 11 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000211A9EC5C90, 16 bytes long.
 Data: <&#216;h&#236;&#169;            > D8 68 EC A9 11 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000211A9EC65A0, 16 bytes long.
 Data: <&#176;h&#236;&#169;            > B0 68 EC A9 11 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000211A9EC6780, 16 bytes long.
 Data: < h&#236;&#169;            > 88 68 EC A9 11 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000211A9EC5CE0, 16 bytes long.
 Data: <`h&#236;&#169;            > 60 68 EC A9 11 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000211A9EC5A10, 16 bytes long.
 Data: <@O&#236;&#169;            > 40 4F EC A9 11 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000211A9EC4F40, 40 bytes long.
 Data: < Z&#236;&#169;    0&#158;&#193;&#171;    > 10 5A EC A9 11 02 00 00 30 9E C1 AB 11 02 00 00 
{261} normal block at 0x00000211A9EC5E20, 16 bytes long.
 Data: <@h&#236;&#169;            > 40 68 EC A9 11 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000211A9EC5AB0, 16 bytes long.
 Data: < h&#236;&#169;            > 18 68 EC A9 11 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000211A9EBFFC0, 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 0x00000211A9EC6500, 16 bytes long.
 Data: <&#240;g&#236;&#169;            > F0 67 EC A9 11 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000211A9EC67F0, 992 bytes long.
 Data: < e&#236;&#169;    &#192;&#255;&#235;&#169;    > 00 65 EC A9 11 02 00 00 C0 FF EB A9 11 02 00 00 
{93} normal block at 0x00000211A9EC02C0, 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 0x00000211A9EBF8A0, 16 bytes long.
 Data: <0&#201;&#234;&#169;            > 30 C9 EA A9 11 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000211A9EAC930, 40 bytes long.
 Data: <&#160;&#248;&#235;&#169;    &#192; &#236;&#169;    > A0 F8 EB A9 11 02 00 00 C0 02 EC A9 11 02 00 00 
{70} normal block at 0x00000211A9EBECC0, 16 bytes long.
 Data: < &#234;ms&#247;           > 80 EA 6D 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000211A9EBF350, 16 bytes long.
 Data: <@&#233;ms&#247;           > 40 E9 6D 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000211A9EBF4E0, 16 bytes long.
 Data: <&#248;Wjs&#247;           > F8 57 6A 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000211A9EBEB80, 16 bytes long.
 Data: <&#216;Wjs&#247;           > D8 57 6A 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000211A9EBF9E0, 16 bytes long.
 Data: <P js&#247;           > 50 04 6A 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000211A9EBF940, 16 bytes long.
 Data: <0 js&#247;           > 30 04 6A 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000211A9EBEC70, 16 bytes long.
 Data: <&#224; js&#247;           > E0 02 6A 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000211A9EBF030, 16 bytes long.
 Data: <  js&#247;           > 10 04 6A 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000211A9EBED10, 16 bytes long.
 Data: <p js&#247;           > 70 04 6A 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000211A9EBF850, 16 bytes long.
 Data: < &#192;hs&#247;           > 18 C0 68 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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