Task 38684904

Name test_267-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND5916_0
Workunit 31626403
Created 27 Oct 2026, 18:30:22 UTC
Sent 27 Oct 2026, 18:30:25 UTC
Report deadline 1 Nov 2026, 18:30:25 UTC
Received 28 Oct 2026, 3:01:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647027
Run time 2 hours 53 min 36 sec
CPU time 2 hours 50 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,809.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 632.30 MB
Peak swap size 12.67 GB
Peak disk usage 3.61 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
01:09:12 (11332): wrapper (7.9.26016): starting
01:09:12 (11332): 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
01:09:13 (11332): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:09:13 (11332): 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\39\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\39\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
04:00:36 (11332): C:/Windows/system32/cmd.exe exited; CPU time 10209.359375
04:00:36 (11332): called boinc_finish(0)
0 bytes in 0 Free Blocks.
546 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: 133849015 bytes.
Dumping objects ->
{3835251} normal block at 0x000002CA2DDE15D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x000002CA2DDE0DF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000002CA2DDE1560, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835218} normal block at 0x000002CA2DDE0FB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x000002CA2DDE16B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835176} normal block at 0x000002CA2DED42A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x000002CA2C1CDEE0, 145 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) : {3835162} normal block at 0x000002CA2C176BC0, 8 bytes long.
 Data: <   ,&#202;   > 00 00 15 2C CA 02 00 00 
{3834552} normal block at 0x000002CA2C1CEB10, 145 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000002CA2C1769E0, 8 bytes long.
 Data: <&#192;&#215;%,&#202;   > C0 D7 25 2C CA 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002CA2C183270, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002CA2C165C40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000002CA2C184BC0, 16 bytes long.
 Data: < U ,&#202;           > 18 55 18 2C CA 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002CA2C184940, 16 bytes long.
 Data: <&#240;T ,&#202;           > F0 54 18 2C CA 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002CA2C17D0D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000002CA2C1842B0, 16 bytes long.
 Data: <&#200;T ,&#202;           > C8 54 18 2C CA 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002CA2C184800, 16 bytes long.
 Data: <&#160;T ,&#202;           > A0 54 18 2C CA 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002CA2C184F80, 16 bytes long.
 Data: <xT ,&#202;           > 78 54 18 2C CA 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002CA2C184B70, 16 bytes long.
 Data: <PT ,&#202;           > 50 54 18 2C CA 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002CA2C17B360, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000002CA2C1841C0, 16 bytes long.
 Data: <&#216;[ ,&#202;           > D8 5B 16 2C CA 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002CA2C17D5B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000002CA2C184580, 16 bytes long.
 Data: <&#176;[ ,&#202;           > B0 5B 16 2C CA 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002CA2C184C10, 16 bytes long.
 Data: < [ ,&#202;           > 88 5B 16 2C CA 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002CA2C184FD0, 16 bytes long.
 Data: <`[ ,&#202;           > 60 5B 16 2C CA 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002CA2C1848F0, 16 bytes long.
 Data: <8[ ,&#202;           > 38 5B 16 2C CA 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002CA2C184850, 16 bytes long.
 Data: < [ ,&#202;           > 10 5B 16 2C CA 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002CA2C184DF0, 16 bytes long.
 Data: <&#232;Z ,&#202;           > E8 5A 16 2C CA 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002CA2C17C9B0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{272} normal block at 0x000002CA2C1849E0, 16 bytes long.
 Data: <&#192;Z ,&#202;           > C0 5A 16 2C CA 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002CA2C165AC0, 320 bytes long.
 Data: <&#224;I ,&#202;   &#176;&#201; ,&#202;   > E0 49 18 2C CA 02 00 00 B0 C9 17 2C CA 02 00 00 
{270} normal block at 0x000002CA2C184B20, 16 bytes long.
 Data: <0T ,&#202;           > 30 54 18 2C CA 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002CA2C1844E0, 16 bytes long.
 Data: < T ,&#202;           > 08 54 18 2C CA 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002CA2C17C710, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000002CA2C1846C0, 16 bytes long.
 Data: <&#224;S ,&#202;           > E0 53 18 2C CA 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002CA2C17CB90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000002CA2C184AD0, 16 bytes long.
 Data: <(S ,&#202;           > 28 53 18 2C CA 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002CA2C184F30, 16 bytes long.
 Data: < S ,&#202;           > 00 53 18 2C CA 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002CA2C184210, 16 bytes long.
 Data: <&#216;R ,&#202;           > D8 52 18 2C CA 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002CA2C184D50, 16 bytes long.
 Data: <&#176;R ,&#202;           > B0 52 18 2C CA 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002CA2C184620, 16 bytes long.
 Data: < R ,&#202;           > 88 52 18 2C CA 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002CA2C184440, 16 bytes long.
 Data: <`R ,&#202;           > 60 52 18 2C CA 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002CA2C184990, 16 bytes long.
 Data: <@&#180; ,&#202;           > 40 B4 17 2C CA 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002CA2C17B440, 40 bytes long.
 Data: < I ,&#202;   &#160;B&#237;-&#202;   > 90 49 18 2C CA 02 00 00 A0 42 ED 2D CA 02 00 00 
{256} normal block at 0x000002CA2C184A30, 16 bytes long.
 Data: <@R ,&#202;           > 40 52 18 2C CA 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002CA2C184260, 16 bytes long.
 Data: < R ,&#202;           > 18 52 18 2C CA 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002CA2C17D370, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000002CA2C184080, 16 bytes long.
 Data: <&#240;Q ,&#202;           > F0 51 18 2C CA 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002CA2C1851F0, 992 bytes long.
 Data: < @ ,&#202;   p&#211; ,&#202;   > 80 40 18 2C CA 02 00 00 70 D3 17 2C CA 02 00 00 
{88} normal block at 0x000002CA2C17D310, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000002CA2C177520, 16 bytes long.
 Data: <&#160;&#184; ,&#202;           > A0 B8 17 2C CA 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002CA2C17B8A0, 40 bytes long.
 Data: < u ,&#202;    &#211; ,&#202;   > 20 75 17 2C CA 02 00 00 10 D3 17 2C CA 02 00 00 
{65} normal block at 0x000002CA2C1773E0, 16 bytes long.
 Data: < &#234;&#244;&#181;&#246;           > 80 EA F4 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002CA2C176EE0, 16 bytes long.
 Data: <@&#233;&#244;&#181;&#246;           > 40 E9 F4 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002CA2C177070, 16 bytes long.
 Data: <&#248;W&#241;&#181;&#246;           > F8 57 F1 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002CA2C177430, 16 bytes long.
 Data: <&#216;W&#241;&#181;&#246;           > D8 57 F1 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002CA2C1767B0, 16 bytes long.
 Data: <P &#241;&#181;&#246;           > 50 04 F1 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002CA2C177340, 16 bytes long.
 Data: <0 &#241;&#181;&#246;           > 30 04 F1 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002CA2C177110, 16 bytes long.
 Data: <&#224; &#241;&#181;&#246;           > E0 02 F1 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002CA2C176710, 16 bytes long.
 Data: <  &#241;&#181;&#246;           > 10 04 F1 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002CA2C176B70, 16 bytes long.
 Data: <p &#241;&#181;&#246;           > 70 04 F1 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002CA2C1772F0, 16 bytes long.
 Data: < &#192;&#239;&#181;&#246;           > 18 C0 EF B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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