Task 38663105

Name test_777-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND6019_0
Workunit 31606333
Created 24 Oct 2026, 21:19:18 UTC
Sent 24 Oct 2026, 21:19:34 UTC
Report deadline 29 Oct 2026, 21:19:34 UTC
Received 24 Oct 2026, 22:01:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 644627
Run time 31 min 13 sec
CPU time 27 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.47 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>
17:31:16 (15504): wrapper (7.9.26016): starting
17:31:16 (15504): 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
17:31:17 (15504): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:31:17 (15504): 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
18:01:03 (15504): C:/Windows/system32/cmd.exe exited; CPU time 1666.656250
18:01:03 (15504): 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: 33596073 bytes.
Dumping objects ->
{3835428} normal block at 0x0000012E796B6740, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835417} normal block at 0x0000012E77852C90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835406} normal block at 0x0000012E778531D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835395} normal block at 0x0000012E77853080, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835384} normal block at 0x0000012E77852F30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835353} normal block at 0x0000012E7965B5A0, 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) : {3835340} normal block at 0x0000012E7784E7B0, 8 bytes long.
 Data: <  &#218;w.   > 00 00 DA 77 2E 01 00 00 
{3833959} normal block at 0x0000012E7784DE50, 8 bytes long.
 Data: < +py.   > 10 2B 70 79 2E 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000012E7784F630, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000012E77846A30, 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 0x0000012E77853C30, 16 bytes long.
 Data: <x7&#133;w.           > 78 37 85 77 2E 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000012E77853B90, 16 bytes long.
 Data: <P7&#133;w.           > 50 37 85 77 2E 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000012E7784D1D0, 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 0x0000012E77853A50, 16 bytes long.
 Data: <(7&#133;w.           > 28 37 85 77 2E 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000012E778538C0, 16 bytes long.
 Data: < 7&#133;w.           > 00 37 85 77 2E 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000012E77854680, 16 bytes long.
 Data: <&#216;6&#133;w.           > D8 36 85 77 2E 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000012E77853B40, 16 bytes long.
 Data: <&#176;6&#133;w.           > B0 36 85 77 2E 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000012E77852D70, 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 0x0000012E77854090, 16 bytes long.
 Data: < &#244;&#131;w.           > 98 F4 83 77 2E 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000012E7784D050, 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 0x0000012E77853C80, 16 bytes long.
 Data: <p&#244;&#131;w.           > 70 F4 83 77 2E 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000012E77853AF0, 16 bytes long.
 Data: <H&#244;&#131;w.           > 48 F4 83 77 2E 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000012E77853A00, 16 bytes long.
 Data: < &#244;&#131;w.           > 20 F4 83 77 2E 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000012E77854810, 16 bytes long.
 Data: <&#248;&#243;&#131;w.           > F8 F3 83 77 2E 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000012E77853E60, 16 bytes long.
 Data: <&#208;&#243;&#131;w.           > D0 F3 83 77 2E 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000012E77854310, 16 bytes long.
 Data: <&#168;&#243;&#131;w.           > A8 F3 83 77 2E 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000012E7784D410, 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 0x0000012E77854770, 16 bytes long.
 Data: < &#243;&#131;w.           > 80 F3 83 77 2E 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000012E7783F380, 320 bytes long.
 Data: <pG&#133;w.    &#212;&#132;w.   > 70 47 85 77 2E 01 00 00 10 D4 84 77 2E 01 00 00 
{275} normal block at 0x0000012E77854720, 16 bytes long.
 Data: < 6&#133;w.           > 90 36 85 77 2E 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000012E778546D0, 16 bytes long.
 Data: <h6&#133;w.           > 68 36 85 77 2E 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000012E7784D110, 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 0x0000012E77854400, 16 bytes long.
 Data: <@6&#133;w.           > 40 36 85 77 2E 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000012E7784D3B0, 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 0x0000012E778547C0, 16 bytes long.
 Data: < 5&#133;w.           > 88 35 85 77 2E 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000012E77853D20, 16 bytes long.
 Data: <`5&#133;w.           > 60 35 85 77 2E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000012E778545E0, 16 bytes long.
 Data: <85&#133;w.           > 38 35 85 77 2E 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000012E778541D0, 16 bytes long.
 Data: < 5&#133;w.           > 10 35 85 77 2E 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000012E77853BE0, 16 bytes long.
 Data: <&#232;4&#133;w.           > E8 34 85 77 2E 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000012E7784E580, 16 bytes long.
 Data: <&#192;4&#133;w.           > C0 34 85 77 2E 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000012E7784DF90, 16 bytes long.
 Data: <&#160;/&#133;w.           > A0 2F 85 77 2E 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000012E77852FA0, 40 bytes long.
 Data: < &#223;&#132;w.   &#160;&#181;ey.   > 90 DF 84 77 2E 01 00 00 A0 B5 65 79 2E 01 00 00 
{261} normal block at 0x0000012E7784DF40, 16 bytes long.
 Data: <&#160;4&#133;w.           > A0 34 85 77 2E 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000012E7784E4E0, 16 bytes long.
 Data: <x4&#133;w.           > 78 34 85 77 2E 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000012E7784D0B0, 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 0x0000012E7784E3F0, 16 bytes long.
 Data: <P4&#133;w.           > 50 34 85 77 2E 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000012E77853450, 992 bytes long.
 Data: <&#240;&#227;&#132;w.   &#176;&#208;&#132;w.   > F0 E3 84 77 2E 01 00 00 B0 D0 84 77 2E 01 00 00 
{93} normal block at 0x0000012E7784CD50, 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 0x0000012E7784E300, 16 bytes long.
 Data: < &#240;&#131;w.           > 80 F0 83 77 2E 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000012E7783F080, 40 bytes long.
 Data: < &#227;&#132;w.   P&#205;&#132;w.   > 00 E3 84 77 2E 01 00 00 50 CD 84 77 2E 01 00 00 
{70} normal block at 0x0000012E7784EA80, 16 bytes long.
 Data: < &#234;&#249; &#246;           > 80 EA F9 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000012E7784E670, 16 bytes long.
 Data: <@&#233;&#249; &#246;           > 40 E9 F9 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000012E7784EAD0, 16 bytes long.
 Data: <&#248;W&#246; &#246;           > F8 57 F6 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000012E7784E2B0, 16 bytes long.
 Data: <&#216;W&#246; &#246;           > D8 57 F6 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000012E7784EC10, 16 bytes long.
 Data: <P &#246; &#246;           > 50 04 F6 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000012E7784E0D0, 16 bytes long.
 Data: <0 &#246; &#246;           > 30 04 F6 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000012E7784E9E0, 16 bytes long.
 Data: <&#224; &#246; &#246;           > E0 02 F6 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000012E7784E170, 16 bytes long.
 Data: <  &#246; &#246;           > 10 04 F6 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000012E7784E080, 16 bytes long.
 Data: <p &#246; &#246;           > 70 04 F6 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000012E7784E030, 16 bytes long.
 Data: < &#192;&#244; &#246;           > 18 C0 F4 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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