Task 38676048

Name test_484-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND3527_0
Workunit 31617984
Created 26 Oct 2026, 10:06:25 UTC
Sent 26 Oct 2026, 10:06:29 UTC
Report deadline 31 Oct 2026, 10:06:29 UTC
Received 26 Oct 2026, 10:53:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652094
Run time 15 min 41 sec
CPU time 14 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 759.32 MB
Peak swap size 13.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
11:37:56 (40936): wrapper (7.9.26016): starting
11:37:56 (40936): 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
11:37:57 (40936): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:37:57 (40936): 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
11:53:04 (40936): C:/Windows/system32/cmd.exe exited; CPU time 889.359375
11:53:04 (40936): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 23105488 bytes.
Dumping objects ->
{3835546} normal block at 0x00000192EB8942A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835535} normal block at 0x00000192EB894150, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835524} normal block at 0x00000192EB8940E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835513} normal block at 0x00000192EB8941C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x00000192EB894070, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835471} normal block at 0x00000192ED5673B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x00000192ED57CAF0, 85 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) : {3835457} normal block at 0x00000192EB88EEA0, 8 bytes long.
 Data: <  &#214;&#235;&#146;   > 00 00 D6 EB 92 01 00 00 
{3834685} normal block at 0x00000192ED57D770, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000192EB88E770, 8 bytes long.
 Data: < V\&#237;&#146;   > 20 56 5C ED 92 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000192EB890650, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000192EB87E9B0, 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 0x00000192EB895780, 16 bytes long.
 Data: <Hb&#137;&#235;&#146;           > 48 62 89 EB 92 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000192EB8959B0, 16 bytes long.
 Data: < b&#137;&#235;&#146;           > 20 62 89 EB 92 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000192EB88FD40, 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 0x00000192EB895C30, 16 bytes long.
 Data: <&#248;a&#137;&#235;&#146;           > F8 61 89 EB 92 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000192EB8955A0, 16 bytes long.
 Data: <&#208;a&#137;&#235;&#146;           > D0 61 89 EB 92 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000192EB8950A0, 16 bytes long.
 Data: <&#168;a&#137;&#235;&#146;           > A8 61 89 EB 92 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000192EB895B40, 16 bytes long.
 Data: < a&#137;&#235;&#146;           > 80 61 89 EB 92 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000192EB894310, 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 0x00000192EB8953C0, 16 bytes long.
 Data: < &#181;&#135;&#235;&#146;           > 08 B5 87 EB 92 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000192EB88F5C0, 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 0x00000192EB895AF0, 16 bytes long.
 Data: <&#224;&#180;&#135;&#235;&#146;           > E0 B4 87 EB 92 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000192EB895CD0, 16 bytes long.
 Data: <&#184;&#180;&#135;&#235;&#146;           > B8 B4 87 EB 92 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000192EB895730, 16 bytes long.
 Data: < &#180;&#135;&#235;&#146;           > 90 B4 87 EB 92 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000192EB894FB0, 16 bytes long.
 Data: <h&#180;&#135;&#235;&#146;           > 68 B4 87 EB 92 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000192EB8954B0, 16 bytes long.
 Data: <@&#180;&#135;&#235;&#146;           > 40 B4 87 EB 92 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000192EB895960, 16 bytes long.
 Data: < &#180;&#135;&#235;&#146;           > 18 B4 87 EB 92 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000192EB88F200, 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 0x00000192EB895A50, 16 bytes long.
 Data: <&#240;&#179;&#135;&#235;&#146;           > F0 B3 87 EB 92 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000192EB87B3F0, 320 bytes long.
 Data: <PZ&#137;&#235;&#146;    &#242; &#235;&#146;   > 50 5A 89 EB 92 01 00 00 00 F2 88 EB 92 01 00 00 
{276} normal block at 0x00000192EB8958C0, 16 bytes long.
 Data: <`a&#137;&#235;&#146;           > 60 61 89 EB 92 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000192EB895E10, 16 bytes long.
 Data: <8a&#137;&#235;&#146;           > 38 61 89 EB 92 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000192EB88FDA0, 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 0x00000192EB895050, 16 bytes long.
 Data: < a&#137;&#235;&#146;           > 10 61 89 EB 92 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000192EB88F1A0, 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 0x00000192EB895870, 16 bytes long.
 Data: <X`&#137;&#235;&#146;           > 58 60 89 EB 92 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000192EB895690, 16 bytes long.
 Data: <0`&#137;&#235;&#146;           > 30 60 89 EB 92 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000192EB8956E0, 16 bytes long.
 Data: < `&#137;&#235;&#146;           > 08 60 89 EB 92 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000192EB895820, 16 bytes long.
 Data: <&#224;_&#137;&#235;&#146;           > E0 5F 89 EB 92 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000192EB895B90, 16 bytes long.
 Data: <&#184;_&#137;&#235;&#146;           > B8 5F 89 EB 92 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000192EB895460, 16 bytes long.
 Data: < _&#137;&#235;&#146;           > 90 5F 89 EB 92 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000192EB895500, 16 bytes long.
 Data: <@E&#137;&#235;&#146;           > 40 45 89 EB 92 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000192EB894540, 40 bytes long.
 Data: < U&#137;&#235;&#146;   &#176;sV&#237;&#146;   > 00 55 89 EB 92 01 00 00 B0 73 56 ED 92 01 00 00 
{262} normal block at 0x00000192EB895910, 16 bytes long.
 Data: <p_&#137;&#235;&#146;           > 70 5F 89 EB 92 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000192EB894F60, 16 bytes long.
 Data: <H_&#137;&#235;&#146;           > 48 5F 89 EB 92 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000192EB88F500, 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 0x00000192EB895550, 16 bytes long.
 Data: < _&#137;&#235;&#146;           > 20 5F 89 EB 92 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000192EB895F20, 992 bytes long.
 Data: <PU&#137;&#235;&#146;    &#245; &#235;&#146;   > 50 55 89 EB 92 01 00 00 00 F5 88 EB 92 01 00 00 
{94} normal block at 0x00000192EB88FB00, 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 0x00000192EB88E720, 16 bytes long.
 Data: < &#252;&#135;&#235;&#146;           > 80 FC 87 EB 92 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000192EB87FC80, 40 bytes long.
 Data: < &#231; &#235;&#146;    &#251; &#235;&#146;   > 20 E7 88 EB 92 01 00 00 00 FB 88 EB 92 01 00 00 
{71} normal block at 0x00000192EB88E6D0, 16 bytes long.
 Data: < &#234;t &#246;           > 80 EA 74 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000192EB88E810, 16 bytes long.
 Data: <@&#233;t &#246;           > 40 E9 74 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000192EB88E8B0, 16 bytes long.
 Data: <&#248;Wq &#246;           > F8 57 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000192EB88EB80, 16 bytes long.
 Data: <&#216;Wq &#246;           > D8 57 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000192EB88EC20, 16 bytes long.
 Data: <P q &#246;           > 50 04 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000192EB88E130, 16 bytes long.
 Data: <0 q &#246;           > 30 04 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000192EB88EFE0, 16 bytes long.
 Data: <&#224; q &#246;           > E0 02 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000192EB88EB30, 16 bytes long.
 Data: <  q &#246;           > 10 04 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000192EB88E680, 16 bytes long.
 Data: <p q &#246;           > 70 04 71 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000192EB88E950, 16 bytes long.
 Data: < &#192;o &#246;           > 18 C0 6F 10 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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