Task 38698430

Name test_463-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND0269_0
Workunit 31638951
Created 2 Nov 2026, 14:07:06 UTC
Sent 2 Nov 2026, 14:07:08 UTC
Report deadline 7 Nov 2026, 14:07:08 UTC
Received 2 Nov 2026, 14:39:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628077
Run time 31 min 23 sec
CPU time 28 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 33,165.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 753.11 MB
Peak swap size 13.02 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:08:50 (4592): wrapper (7.9.26016): starting
06:08:50 (4592): 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
06:08:52 (4592): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:08:52 (4592): 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\20\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\20\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
06:39:02 (4592): C:/Windows/system32/cmd.exe exited; CPU time 1689.203125
06:39:02 (4592): 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: 30128767 bytes.
Dumping objects ->
{3835502} normal block at 0x00000276B3683EC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835491} normal block at 0x00000276B3684010, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835480} normal block at 0x00000276B3683D70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835469} normal block at 0x00000276B3683D00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835458} normal block at 0x00000276B36841D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835427} normal block at 0x00000276B53FB230, 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) : {3835414} normal block at 0x00000276B367DA80, 8 bytes long.
 Data: <  b&#179;v   > 00 00 62 B3 76 02 00 00 
{3833969} normal block at 0x00000276B367E110, 8 bytes long.
 Data: <`4h&#179;v   > 60 34 68 B3 76 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000276B36704C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000276B366F500, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x00000276B3684C50, 16 bytes long.
 Data: <h^h&#179;v           > 68 5E 68 B3 76 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000276B3684E30, 16 bytes long.
 Data: <@^h&#179;v           > 40 5E 68 B3 76 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000276B367FE00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x00000276B3684BB0, 16 bytes long.
 Data: < ^h&#179;v           > 18 5E 68 B3 76 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000276B36849D0, 16 bytes long.
 Data: <&#240;]h&#179;v           > F0 5D 68 B3 76 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000276B36858D0, 16 bytes long.
 Data: <&#200;]h&#179;v           > C8 5D 68 B3 76 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000276B3685920, 16 bytes long.
 Data: <&#160;]h&#179;v           > A0 5D 68 B3 76 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000276B3683E50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x00000276B3684A20, 16 bytes long.
 Data: <(;h&#179;v           > 28 3B 68 B3 76 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000276B367FE60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x00000276B36850B0, 16 bytes long.
 Data: < ;h&#179;v           > 00 3B 68 B3 76 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000276B3685330, 16 bytes long.
 Data: <&#216;:h&#179;v           > D8 3A 68 B3 76 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000276B3685010, 16 bytes long.
 Data: <&#176;:h&#179;v           > B0 3A 68 B3 76 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000276B3685880, 16 bytes long.
 Data: < :h&#179;v           > 88 3A 68 B3 76 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000276B3684CF0, 16 bytes long.
 Data: <`:h&#179;v           > 60 3A 68 B3 76 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000276B3685290, 16 bytes long.
 Data: <8:h&#179;v           > 38 3A 68 B3 76 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000276B3680040, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x00000276B3684C00, 16 bytes long.
 Data: < :h&#179;v           > 10 3A 68 B3 76 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000276B3683A10, 320 bytes long.
 Data: < Lh&#179;v   @ h&#179;v   > 00 4C 68 B3 76 02 00 00 40 00 68 B3 76 02 00 00 
{280} normal block at 0x00000276B3684AC0, 16 bytes long.
 Data: < ]h&#179;v           > 80 5D 68 B3 76 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000276B3685830, 16 bytes long.
 Data: <X]h&#179;v           > 58 5D 68 B3 76 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000276B367FDA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x00000276B3685470, 16 bytes long.
 Data: <0]h&#179;v           > 30 5D 68 B3 76 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000276B367F560, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x00000276B3685420, 16 bytes long.
 Data: <x\h&#179;v           > 78 5C 68 B3 76 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000276B36857E0, 16 bytes long.
 Data: <P\h&#179;v           > 50 5C 68 B3 76 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000276B3684DE0, 16 bytes long.
 Data: <(\h&#179;v           > 28 5C 68 B3 76 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000276B3684B60, 16 bytes long.
 Data: < \h&#179;v           > 00 5C 68 B3 76 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000276B3684FC0, 16 bytes long.
 Data: <&#216;[h&#179;v           > D8 5B 68 B3 76 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000276B3685650, 16 bytes long.
 Data: <&#176;[h&#179;v           > B0 5B 68 B3 76 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000276B3685060, 16 bytes long.
 Data: <&#224;=h&#179;v           > E0 3D 68 B3 76 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000276B3683DE0, 40 bytes long.
 Data: <`Ph&#179;v   0&#178;?&#181;v   > 60 50 68 B3 76 02 00 00 30 B2 3F B5 76 02 00 00 
{266} normal block at 0x00000276B3685790, 16 bytes long.
 Data: < [h&#179;v           > 90 5B 68 B3 76 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000276B36855B0, 16 bytes long.
 Data: <h[h&#179;v           > 68 5B 68 B3 76 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000276B367FEC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x00000276B3685740, 16 bytes long.
 Data: <@[h&#179;v           > 40 5B 68 B3 76 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000276B3685B40, 992 bytes long.
 Data: <@Wh&#179;v   &#192;&#254;g&#179;v   > 40 57 68 B3 76 02 00 00 C0 FE 67 B3 76 02 00 00 
{98} normal block at 0x00000276B3680160, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x00000276B367DFD0, 16 bytes long.
 Data: < &#224;f&#179;v           > 20 E0 66 B3 76 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000276B366E020, 40 bytes long.
 Data: <&#208;&#223;g&#179;v   ` h&#179;v   > D0 DF 67 B3 76 02 00 00 60 01 68 B3 76 02 00 00 
{75} normal block at 0x00000276B367DEE0, 16 bytes long.
 Data: < &#234;E&#181;&#246;           > 80 EA 45 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000276B367E570, 16 bytes long.
 Data: <@&#233;E&#181;&#246;           > 40 E9 45 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000276B367E070, 16 bytes long.
 Data: <&#248;WB&#181;&#246;           > F8 57 42 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000276B367E520, 16 bytes long.
 Data: <&#216;WB&#181;&#246;           > D8 57 42 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000276B367E8E0, 16 bytes long.
 Data: <P B&#181;&#246;           > 50 04 42 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000276B367E340, 16 bytes long.
 Data: <0 B&#181;&#246;           > 30 04 42 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000276B367E1B0, 16 bytes long.
 Data: <&#224; B&#181;&#246;           > E0 02 42 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000276B367E890, 16 bytes long.
 Data: <  B&#181;&#246;           > 10 04 42 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000276B367E840, 16 bytes long.
 Data: <p B&#181;&#246;           > 70 04 42 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000276B367DAD0, 16 bytes long.
 Data: < &#192;@&#181;&#246;           > 18 C0 40 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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