Task 38681845

Name test_251-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND8186_0
Workunit 31623491
Created 27 Oct 2026, 5:34:35 UTC
Sent 27 Oct 2026, 5:34:53 UTC
Report deadline 1 Nov 2026, 5:34:53 UTC
Received 27 Oct 2026, 6:41:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652820
Run time 29 min 12 sec
CPU time 27 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,068.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.02 MB
Peak swap size 12.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:12:59 (45020): wrapper (7.9.26016): starting
01:12:59 (45020): 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
01:13:00 (45020): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:13:00 (45020): 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\8\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\8\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
01:41:29 (45020): C:/Windows/system32/cmd.exe exited; CPU time 1658.484375
01:41:29 (45020): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 21438685 bytes.
Dumping objects ->
{3835570} normal block at 0x000002D443640BC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835559} normal block at 0x000002D443640AE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835548} normal block at 0x000002D443640D10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835537} normal block at 0x000002D4436412C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835526} normal block at 0x000002D443641560, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835495} normal block at 0x000002D4436EBAA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835484} normal block at 0x000002D44374D230, 102 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) : {3835481} normal block at 0x000002D441986B40, 8 bytes long.
 Data: <  &#142;A&#212;   > 00 00 8E 41 D4 02 00 00 
{3834692} normal block at 0x000002D44374D0D0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000002D441986AA0, 8 bytes long.
 Data: <&#240;g}C&#212;   > F0 67 7D 43 D4 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002D441990E70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002D44197ADE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000002D441992680, 16 bytes long.
 Data: <&#168;4 A&#212;           > A8 34 99 41 D4 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002D441992310, 16 bytes long.
 Data: < 4 A&#212;           > 80 34 99 41 D4 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002D44198DE20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000002D4419922C0, 16 bytes long.
 Data: <X4 A&#212;           > 58 34 99 41 D4 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002D441992270, 16 bytes long.
 Data: <04 A&#212;           > 30 34 99 41 D4 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002D441992400, 16 bytes long.
 Data: < 4 A&#212;           > 08 34 99 41 D4 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002D4419921D0, 16 bytes long.
 Data: <&#224;3 A&#212;           > E0 33 99 41 D4 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002D44198B290, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000002D441992720, 16 bytes long.
 Data: <H&#186;&#151;A&#212;           > 48 BA 97 41 D4 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002D44198D880, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000002D441992B30, 16 bytes long.
 Data: < &#186;&#151;A&#212;           > 20 BA 97 41 D4 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002D441992180, 16 bytes long.
 Data: <&#248;&#185;&#151;A&#212;           > F8 B9 97 41 D4 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002D441992950, 16 bytes long.
 Data: <&#208;&#185;&#151;A&#212;           > D0 B9 97 41 D4 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002D441991E60, 16 bytes long.
 Data: <&#168;&#185;&#151;A&#212;           > A8 B9 97 41 D4 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002D441992450, 16 bytes long.
 Data: < &#185;&#151;A&#212;           > 80 B9 97 41 D4 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002D441992900, 16 bytes long.
 Data: <X&#185;&#151;A&#212;           > 58 B9 97 41 D4 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002D44198DD60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000002D4419920E0, 16 bytes long.
 Data: <0&#185;&#151;A&#212;           > 30 B9 97 41 D4 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002D44197B930, 320 bytes long.
 Data: <&#224;  A&#212;   `&#221; A&#212;   > E0 20 99 41 D4 02 00 00 60 DD 98 41 D4 02 00 00 
{270} normal block at 0x000002D441992630, 16 bytes long.
 Data: <&#192;3 A&#212;           > C0 33 99 41 D4 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002D4419924F0, 16 bytes long.
 Data: < 3 A&#212;           > 98 33 99 41 D4 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002D44198D460, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000002D441992810, 16 bytes long.
 Data: <p3 A&#212;           > 70 33 99 41 D4 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002D44198DE80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000002D441992090, 16 bytes long.
 Data: <&#184;2 A&#212;           > B8 32 99 41 D4 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002D441992360, 16 bytes long.
 Data: < 2 A&#212;           > 90 32 99 41 D4 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002D4419925E0, 16 bytes long.
 Data: <h2 A&#212;           > 68 32 99 41 D4 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002D441992040, 16 bytes long.
 Data: <@2 A&#212;           > 40 32 99 41 D4 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002D441991FF0, 16 bytes long.
 Data: < 2 A&#212;           > 18 32 99 41 D4 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002D441992D10, 16 bytes long.
 Data: <&#240;1 A&#212;           > F0 31 99 41 D4 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002D441992540, 16 bytes long.
 Data: <0&#181; A&#212;           > 30 B5 98 41 D4 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002D44198B530, 40 bytes long.
 Data: <@% A&#212;   &#160;&#186;nC&#212;   > 40 25 99 41 D4 02 00 00 A0 BA 6E 43 D4 02 00 00 
{256} normal block at 0x000002D441992AE0, 16 bytes long.
 Data: <&#208;1 A&#212;           > D0 31 99 41 D4 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002D4419928B0, 16 bytes long.
 Data: <&#168;1 A&#212;           > A8 31 99 41 D4 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002D44198DC40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000002D441991EB0, 16 bytes long.
 Data: < 1 A&#212;           > 80 31 99 41 D4 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002D441993180, 992 bytes long.
 Data: <&#176;  A&#212;   @&#220; A&#212;   > B0 1E 99 41 D4 02 00 00 40 DC 98 41 D4 02 00 00 
{88} normal block at 0x000002D44198E240, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000002D441986EB0, 16 bytes long.
 Data: < &#182; A&#212;           > 80 B6 98 41 D4 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002D44198B680, 40 bytes long.
 Data: <&#176;n A&#212;   @&#226; A&#212;   > B0 6E 98 41 D4 02 00 00 40 E2 98 41 D4 02 00 00 
{65} normal block at 0x000002D441986FA0, 16 bytes long.
 Data: < &#234;&#194;e&#247;           > 80 EA C2 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002D441986DC0, 16 bytes long.
 Data: <@&#233;&#194;e&#247;           > 40 E9 C2 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002D4419864B0, 16 bytes long.
 Data: <&#248;W&#191;e&#247;           > F8 57 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002D441986D70, 16 bytes long.
 Data: <&#216;W&#191;e&#247;           > D8 57 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002D441986A50, 16 bytes long.
 Data: <P &#191;e&#247;           > 50 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002D4419871D0, 16 bytes long.
 Data: <0 &#191;e&#247;           > 30 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002D441986960, 16 bytes long.
 Data: <&#224; &#191;e&#247;           > E0 02 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002D441986C80, 16 bytes long.
 Data: <  &#191;e&#247;           > 10 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002D441986AF0, 16 bytes long.
 Data: <p &#191;e&#247;           > 70 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002D441986500, 16 bytes long.
 Data: < &#192;&#189;e&#247;           > 18 C0 BD 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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