Task 38685877

Name test_362-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND6100_0
Workunit 31627331
Created 27 Oct 2026, 23:24:48 UTC
Sent 27 Oct 2026, 23:24:52 UTC
Report deadline 1 Nov 2026, 23:24:52 UTC
Received 28 Oct 2026, 1:46:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 496592
Run time 45 min 53 sec
CPU time 44 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,334.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 785.65 MB
Peak swap size 4.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
01:59:02 (13764): wrapper (7.9.26016): starting
01:59:02 (13764): 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
01:59:03 (13764): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:59:03 (13764): 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\0\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\0\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
02:44:50 (13764): C:/Windows/system32/cmd.exe exited; CPU time 2677.718750
02:44:50 (13764): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 38108183 bytes.
Dumping objects ->
{3835361} normal block at 0x00000155EC630840, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835350} normal block at 0x00000155EC631090, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835339} normal block at 0x00000155EC631410, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835328} normal block at 0x00000155EC630DF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835317} normal block at 0x00000155EC6307D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835286} normal block at 0x00000155EC78C390, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x00000155EAC5F200, 141 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) : {3835272} normal block at 0x00000155EAC069B0, 8 bytes long.
 Data: <  d&#236;U   > 00 00 64 EC 55 01 00 00 
{3834603} normal block at 0x00000155EAC5EB80, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x00000155EAC06BE0, 8 bytes long.
 Data: <`&#246;&#197;&#234;U   > 60 F6 C5 EA 55 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000155EAC119D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000155EABF6020, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x00000155EAC13140, 16 bytes long.
 Data: <&#200;>&#193;&#234;U           > C8 3E C1 EA 55 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000155EAC12BA0, 16 bytes long.
 Data: <&#160;>&#193;&#234;U           > A0 3E C1 EA 55 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000155EAC0B730, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x00000155EAC12880, 16 bytes long.
 Data: <x>&#193;&#234;U           > 78 3E C1 EA 55 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000155EAC129C0, 16 bytes long.
 Data: <P>&#193;&#234;U           > 50 3E C1 EA 55 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000155EAC12970, 16 bytes long.
 Data: <(>&#193;&#234;U           > 28 3E C1 EA 55 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000155EAC130F0, 16 bytes long.
 Data: < >&#193;&#234;U           > 00 3E C1 EA 55 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000155EAC0D720, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x00000155EAC127E0, 16 bytes long.
 Data: <&#184;_&#191;&#234;U           > B8 5F BF EA 55 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000155EAC0BC70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x00000155EAC13640, 16 bytes long.
 Data: < _&#191;&#234;U           > 90 5F BF EA 55 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000155EAC12B00, 16 bytes long.
 Data: <h_&#191;&#234;U           > 68 5F BF EA 55 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000155EAC130A0, 16 bytes long.
 Data: <@_&#191;&#234;U           > 40 5F BF EA 55 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000155EAC13460, 16 bytes long.
 Data: < _&#191;&#234;U           > 18 5F BF EA 55 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000155EAC13730, 16 bytes long.
 Data: <&#240;^&#191;&#234;U           > F0 5E BF EA 55 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000155EAC13410, 16 bytes long.
 Data: <&#200;^&#191;&#234;U           > C8 5E BF EA 55 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000155EAC0BC10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x00000155EAC12EC0, 16 bytes long.
 Data: <&#160;^&#191;&#234;U           > A0 5E BF EA 55 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000155EABF5EA0, 320 bytes long.
 Data: <&#192;.&#193;&#234;U    &#188;&#192;&#234;U   > C0 2E C1 EA 55 01 00 00 10 BC C0 EA 55 01 00 00 
{271} normal block at 0x00000155EAC135F0, 16 bytes long.
 Data: <&#224;=&#193;&#234;U           > E0 3D C1 EA 55 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000155EAC13550, 16 bytes long.
 Data: <&#184;=&#193;&#234;U           > B8 3D C1 EA 55 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000155EAC0C150, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x00000155EAC12AB0, 16 bytes long.
 Data: < =&#193;&#234;U           > 90 3D C1 EA 55 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000155EAC0BAF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x00000155EAC13370, 16 bytes long.
 Data: <&#216;<&#193;&#234;U           > D8 3C C1 EA 55 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000155EAC13280, 16 bytes long.
 Data: <&#176;<&#193;&#234;U           > B0 3C C1 EA 55 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000155EAC13500, 16 bytes long.
 Data: < <&#193;&#234;U           > 88 3C C1 EA 55 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000155EAC136E0, 16 bytes long.
 Data: <`<&#193;&#234;U           > 60 3C C1 EA 55 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000155EAC12D30, 16 bytes long.
 Data: <8<&#193;&#234;U           > 38 3C C1 EA 55 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000155EAC13230, 16 bytes long.
 Data: < <&#193;&#234;U           > 10 3C C1 EA 55 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000155EAC133C0, 16 bytes long.
 Data: <&#192;&#217;&#192;&#234;U           > C0 D9 C0 EA 55 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000155EAC0D9C0, 40 bytes long.
 Data: <&#192;3&#193;&#234;U    &#195;x&#236;U   > C0 33 C1 EA 55 01 00 00 90 C3 78 EC 55 01 00 00 
{257} normal block at 0x00000155EAC12A60, 16 bytes long.
 Data: <&#240;;&#193;&#234;U           > F0 3B C1 EA 55 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000155EAC12920, 16 bytes long.
 Data: <&#200;;&#193;&#234;U           > C8 3B C1 EA 55 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000155EAC0BA90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x00000155EAC135A0, 16 bytes long.
 Data: <&#160;;&#193;&#234;U           > A0 3B C1 EA 55 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000155EAC13BA0, 992 bytes long.
 Data: <&#160;5&#193;&#234;U    &#186;&#192;&#234;U   > A0 35 C1 EA 55 01 00 00 90 BA C0 EA 55 01 00 00 
{89} normal block at 0x00000155EAC0BBB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x00000155EAC07400, 16 bytes long.
 Data: <&#176;&#214;&#192;&#234;U           > B0 D6 C0 EA 55 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000155EAC0D6B0, 40 bytes long.
 Data: < t&#192;&#234;U   &#176;&#187;&#192;&#234;U   > 00 74 C0 EA 55 01 00 00 B0 BB C0 EA 55 01 00 00 
{66} normal block at 0x00000155EAC06F00, 16 bytes long.
 Data: < &#234;&&#183;&#246;           > 80 EA 26 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000155EAC07220, 16 bytes long.
 Data: <@&#233;&&#183;&#246;           > 40 E9 26 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000155EAC07130, 16 bytes long.
 Data: <&#248;W#&#183;&#246;           > F8 57 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000155EAC071D0, 16 bytes long.
 Data: <&#216;W#&#183;&#246;           > D8 57 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000155EAC06A00, 16 bytes long.
 Data: <P #&#183;&#246;           > 50 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000155EAC06B90, 16 bytes long.
 Data: <0 #&#183;&#246;           > 30 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000155EAC07630, 16 bytes long.
 Data: <&#224; #&#183;&#246;           > E0 02 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000155EAC06D20, 16 bytes long.
 Data: <  #&#183;&#246;           > 10 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000155EAC074A0, 16 bytes long.
 Data: <p #&#183;&#246;           > 70 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000155EAC06B40, 16 bytes long.
 Data: < &#192;!&#183;&#246;           > 18 C0 21 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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