Task 38687368

Name test_566-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND6042_0
Workunit 31628760
Created 28 Oct 2026, 7:26:01 UTC
Sent 28 Oct 2026, 7:26:04 UTC
Report deadline 2 Nov 2026, 7:26:04 UTC
Received 28 Oct 2026, 8:39:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 619246
Run time 59 min 34 sec
CPU time 57 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 8,090.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.59 MB
Peak swap size 9.87 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:41:18 (19512): wrapper (7.9.26016): starting
02:41:18 (19512): 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
02:41:19 (19512): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:41:19 (19512): 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\25\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\25\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
03:39:00 (19512): C:/Windows/system32/cmd.exe exited; CPU time 3438.484375
03:39:00 (19512): 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: 68963835 bytes.
Dumping objects ->
{3835492} normal block at 0x00000255C4B35260, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x00000255C4B350A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835470} normal block at 0x00000255C4B35180, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835459} normal block at 0x00000255C4B35340, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835448} normal block at 0x00000255C4B35420, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835417} normal block at 0x00000255C68799B0, 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) : {3835404} normal block at 0x00000255C4B2D1F0, 8 bytes long.
 Data: <  	&#197;U   > 00 00 09 C5 55 02 00 00 
{3833961} normal block at 0x00000255C4B2DBA0, 8 bytes long.
 Data: <&#160;&#221;&#177;&#196;U   > A0 DD B1 C4 55 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000255C4B31F60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000255C4B26320, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000255C4B358A0, 16 bytes long.
 Data: <Hj&#179;&#196;U           > 48 6A B3 C4 55 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000255C4B35E90, 16 bytes long.
 Data: < j&#179;&#196;U           > 20 6A B3 C4 55 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000255C4B2F4D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000255C4B35E40, 16 bytes long.
 Data: <&#248;i&#179;&#196;U           > F8 69 B3 C4 55 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000255C4B36200, 16 bytes long.
 Data: <&#208;i&#179;&#196;U           > D0 69 B3 C4 55 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000255C4B35DF0, 16 bytes long.
 Data: <&#168;i&#179;&#196;U           > A8 69 B3 C4 55 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000255C4B35D50, 16 bytes long.
 Data: < i&#179;&#196;U           > 80 69 B3 C4 55 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000255C4B35650, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000255C4B35760, 16 bytes long.
 Data: <&#232;M&#179;&#196;U           > E8 4D B3 C4 55 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000255C4B30070, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000255C4B36570, 16 bytes long.
 Data: <&#192;M&#179;&#196;U           > C0 4D B3 C4 55 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000255C4B36340, 16 bytes long.
 Data: < M&#179;&#196;U           > 98 4D B3 C4 55 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000255C4B35A80, 16 bytes long.
 Data: <pM&#179;&#196;U           > 70 4D B3 C4 55 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000255C4B36160, 16 bytes long.
 Data: <HM&#179;&#196;U           > 48 4D B3 C4 55 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000255C4B35850, 16 bytes long.
 Data: < M&#179;&#196;U           > 20 4D B3 C4 55 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000255C4B35CB0, 16 bytes long.
 Data: <&#248;L&#179;&#196;U           > F8 4C B3 C4 55 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000255C4B2F590, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000255C4B35C60, 16 bytes long.
 Data: <&#208;L&#179;&#196;U           > D0 4C B3 C4 55 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000255C4B34CD0, 320 bytes long.
 Data: <`\&#179;&#196;U    &#245;&#178;&#196;U   > 60 5C B3 C4 55 02 00 00 90 F5 B2 C4 55 02 00 00 
{276} normal block at 0x00000255C4B359E0, 16 bytes long.
 Data: <`i&#179;&#196;U           > 60 69 B3 C4 55 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000255C4B36520, 16 bytes long.
 Data: <8i&#179;&#196;U           > 38 69 B3 C4 55 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000255C4B2F2F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000255C4B361B0, 16 bytes long.
 Data: < i&#179;&#196;U           > 10 69 B3 C4 55 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000255C4B2F650, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x00000255C4B36610, 16 bytes long.
 Data: <Xh&#179;&#196;U           > 58 68 B3 C4 55 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000255C4B360C0, 16 bytes long.
 Data: <0h&#179;&#196;U           > 30 68 B3 C4 55 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000255C4B35C10, 16 bytes long.
 Data: < h&#179;&#196;U           > 08 68 B3 C4 55 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000255C4B36390, 16 bytes long.
 Data: <&#224;g&#179;&#196;U           > E0 67 B3 C4 55 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000255C4B35D00, 16 bytes long.
 Data: <&#184;g&#179;&#196;U           > B8 67 B3 C4 55 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000255C4B364D0, 16 bytes long.
 Data: < g&#179;&#196;U           > 90 67 B3 C4 55 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000255C4B35800, 16 bytes long.
 Data: < Q&#179;&#196;U           > 10 51 B3 C4 55 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000255C4B35110, 40 bytes long.
 Data: < X&#179;&#196;U   &#176; &#135;&#198;U   > 00 58 B3 C4 55 02 00 00 B0 99 87 C6 55 02 00 00 
{262} normal block at 0x00000255C4B358F0, 16 bytes long.
 Data: <pg&#179;&#196;U           > 70 67 B3 C4 55 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000255C4B35DA0, 16 bytes long.
 Data: <Hg&#179;&#196;U           > 48 67 B3 C4 55 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000255C4B2FCB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000255C4B35B70, 16 bytes long.
 Data: < g&#179;&#196;U           > 20 67 B3 C4 55 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000255C4B36720, 992 bytes long.
 Data: <p[&#179;&#196;U   &#176;&#252;&#178;&#196;U   > 70 5B B3 C4 55 02 00 00 B0 FC B2 C4 55 02 00 00 
{94} normal block at 0x00000255C4B2F8F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000255C4B2D6F0, 16 bytes long.
 Data: < &#239;&#178;&#196;U           > 10 EF B2 C4 55 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000255C4B2EF10, 40 bytes long.
 Data: <&#240;&#214;&#178;&#196;U   &#240;&#248;&#178;&#196;U   > F0 D6 B2 C4 55 02 00 00 F0 F8 B2 C4 55 02 00 00 
{71} normal block at 0x00000255C4B2D5B0, 16 bytes long.
 Data: < &#234; &#135;&#246;           > 80 EA 0E 87 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000255C4B2D8D0, 16 bytes long.
 Data: <@&#233; &#135;&#246;           > 40 E9 0E 87 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000255C4B2D7E0, 16 bytes long.
 Data: <&#248;W &#135;&#246;           > F8 57 0B 87 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000255C4B2DB00, 16 bytes long.
 Data: <&#216;W &#135;&#246;           > D8 57 0B 87 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000255C4B2DB50, 16 bytes long.
 Data: <P  &#135;&#246;           > 50 04 0B 87 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000255C4B2DA60, 16 bytes long.
 Data: <0  &#135;&#246;           > 30 04 0B 87 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000255C4B2DDD0, 16 bytes long.
 Data: <&#224;  &#135;&#246;           > E0 02 0B 87 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000255C4B2DEC0, 16 bytes long.
 Data: <   &#135;&#246;           > 10 04 0B 87 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000255C4B2DAB0, 16 bytes long.
 Data: <p  &#135;&#246;           > 70 04 0B 87 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000255C4B2D650, 16 bytes long.
 Data: < &#192;	&#135;&#246;           > 18 C0 09 87 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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