Task 38678302

Name test_481-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND2644_0
Workunit 31620128
Created 26 Oct 2026, 16:59:07 UTC
Sent 26 Oct 2026, 16:59:16 UTC
Report deadline 31 Oct 2026, 16:59:16 UTC
Received 26 Oct 2026, 18:00:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654846
Run time 49 min 20 sec
CPU time 42 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 665.82 MB
Peak swap size 3.08 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:10:32 (8244): wrapper (7.9.26016): starting
19:10:32 (8244): 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
19:10:35 (8244): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:10:35 (8244): 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 'D:\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 'D:\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
19:58:27 (8244): C:/Windows/system32/cmd.exe exited; CPU time 2544.578125
19:58:27 (8244): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 32813787 bytes.
Dumping objects ->
{3835253} normal block at 0x000001620DA5AFF0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x000001620DA5A810, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x000001620DA5AC00, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x000001620BF0C4B0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x000001620BF0C2F0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x000001620DAA38A0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835167} normal block at 0x000001620DB313D0, 160 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) : {3835164} normal block at 0x000001620BF07BD0, 8 bytes long.
 Data: <  &#238; b   > 00 00 EE 0B 62 01 00 00 
{3834552} normal block at 0x000001620DB31E50, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x000001620BF080D0, 8 bytes long.
 Data: <0+&#179; b   > 30 2B B3 0D 62 01 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x000001620BF110C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001620BEFAFB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x000001620BF12560, 16 bytes long.
 Data: < G&#241; b           > 08 47 F1 0B 62 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001620BF124C0, 16 bytes long.
 Data: <&#224;F&#241; b           > E0 46 F1 0B 62 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001620BF0E0E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x000001620BF12470, 16 bytes long.
 Data: <&#184;F&#241; b           > B8 46 F1 0B 62 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001620BF12420, 16 bytes long.
 Data: < F&#241; b           > 90 46 F1 0B 62 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001620BF12240, 16 bytes long.
 Data: <hF&#241; b           > 68 46 F1 0B 62 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001620BF121A0, 16 bytes long.
 Data: <@F&#241; b           > 40 46 F1 0B 62 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001620BF0C1A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x000001620BF12150, 16 bytes long.
 Data: <&#184;\&#239; b           > B8 5C EF 0B 62 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001620BF0E1A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x000001620BF12100, 16 bytes long.
 Data: < \&#239; b           > 90 5C EF 0B 62 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001620BF12510, 16 bytes long.
 Data: <h\&#239; b           > 68 5C EF 0B 62 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001620BF12010, 16 bytes long.
 Data: <@\&#239; b           > 40 5C EF 0B 62 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001620BF12F10, 16 bytes long.
 Data: < \&#239; b           > 18 5C EF 0B 62 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001620BF12880, 16 bytes long.
 Data: <&#240;[&#239; b           > F0 5B EF 0B 62 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001620BF12EC0, 16 bytes long.
 Data: <&#200;[&#239; b           > C8 5B EF 0B 62 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001620BF0DEA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{269} normal block at 0x000001620BF12C90, 16 bytes long.
 Data: <&#160;[&#239; b           > A0 5B EF 0B 62 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001620BEF5BA0, 320 bytes long.
 Data: < ,&#241; b   &#160;&#222;&#240; b   > 90 2C F1 0B 62 01 00 00 A0 DE F0 0B 62 01 00 00 
{267} normal block at 0x000001620BF12BF0, 16 bytes long.
 Data: < F&#241; b           > 20 46 F1 0B 62 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001620BF125B0, 16 bytes long.
 Data: <&#248;E&#241; b           > F8 45 F1 0B 62 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001620BF0E200, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x000001620BF12BA0, 16 bytes long.
 Data: <&#208;E&#241; b           > D0 45 F1 0B 62 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001620BF0E320, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x000001620BF12F60, 16 bytes long.
 Data: < E&#241; b           > 18 45 F1 0B 62 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001620BF120B0, 16 bytes long.
 Data: <&#240;D&#241; b           > F0 44 F1 0B 62 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001620BF12B00, 16 bytes long.
 Data: <&#200;D&#241; b           > C8 44 F1 0B 62 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001620BF129C0, 16 bytes long.
 Data: <&#160;D&#241; b           > A0 44 F1 0B 62 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001620BF12060, 16 bytes long.
 Data: <xD&#241; b           > 78 44 F1 0B 62 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001620BF121F0, 16 bytes long.
 Data: <PD&#241; b           > 50 44 F1 0B 62 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001620BF12B50, 16 bytes long.
 Data: <P&#192;&#240; b           > 50 C0 F0 0B 62 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001620BF0C050, 40 bytes long.
 Data: <P+&#241; b   &#160;8&#170; b   > 50 2B F1 0B 62 01 00 00 A0 38 AA 0D 62 01 00 00 
{253} normal block at 0x000001620BF12E70, 16 bytes long.
 Data: <0D&#241; b           > 30 44 F1 0B 62 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001620BF12D80, 16 bytes long.
 Data: < D&#241; b           > 08 44 F1 0B 62 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001620BF0D7E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x000001620BF12740, 16 bytes long.
 Data: <&#224;C&#241; b           > E0 43 F1 0B 62 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000001620BF143E0, 992 bytes long.
 Data: <@'&#241; b   &#224;&#215;&#240; b   > 40 27 F1 0B 62 01 00 00 E0 D7 F0 0B 62 01 00 00 
{85} normal block at 0x000001620BF0DD20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x000001620BF07450, 16 bytes long.
 Data: <p&#198;&#240; b           > 70 C6 F0 0B 62 01 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001620BF0C670, 40 bytes long.
 Data: <Pt&#240; b    &#221;&#240; b   > 50 74 F0 0B 62 01 00 00 20 DD F0 0B 62 01 00 00 
{62} normal block at 0x000001620BF08120, 16 bytes long.
 Data: < &#234; &#237;&#247;           > 80 EA 01 ED F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001620BF081C0, 16 bytes long.
 Data: <@&#233; &#237;&#247;           > 40 E9 01 ED F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001620BF07CC0, 16 bytes long.
 Data: <&#248;W&#254;&#236;&#247;           > F8 57 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001620BF07400, 16 bytes long.
 Data: <&#216;W&#254;&#236;&#247;           > D8 57 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001620BF07B80, 16 bytes long.
 Data: <P &#254;&#236;&#247;           > 50 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001620BF07540, 16 bytes long.
 Data: <0 &#254;&#236;&#247;           > 30 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001620BF08080, 16 bytes long.
 Data: <&#224; &#254;&#236;&#247;           > E0 02 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001620BF07B30, 16 bytes long.
 Data: <  &#254;&#236;&#247;           > 10 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001620BF08030, 16 bytes long.
 Data: <p &#254;&#236;&#247;           > 70 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001620BF07360, 16 bytes long.
 Data: < &#192;&#252;&#236;&#247;           > 18 C0 FC EC F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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