Task 38677153

Name test_849-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND0613_1
Workunit 31618922
Created 26 Oct 2026, 13:27:09 UTC
Sent 26 Oct 2026, 13:27:13 UTC
Report deadline 31 Oct 2026, 13:27:13 UTC
Received 26 Oct 2026, 14:33:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 527233
Run time 1 hours 5 min 35 sec
CPU time 1 hours 1 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 687.70 MB
Peak swap size 6.85 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:28:19 (6188): wrapper (7.9.26016): starting
09:28:19 (6188): 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
09:28:20 (6188): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:28:20 (6188): 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\14\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\14\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: Exiting with failure status due to previous errors
10:32:55 (6188): C:/Windows/system32/cmd.exe exited; CPU time 3712.812500
10:32:55 (6188): 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: 49143211 bytes.
Dumping objects ->
{3835219} normal block at 0x000001AEA992AD10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x000001AEA992ABC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x000001AEA992A920, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x000001AEA992B2C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000001AEA7D8C1D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x000001AEA9975420, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x000001AEA998C5C0, 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) : {3835130} normal block at 0x000001AEA7D879B0, 8 bytes long.
 Data: <  &#211;&#167;&#174;   > 00 00 D3 A7 AE 01 00 00 
{3834526} normal block at 0x000001AEA998C720, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x000001AEA7D87FA0, 8 bytes long.
 Data: <  &#160;&#169;&#174;   > 10 20 A0 A9 AE 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001AEA7D90D80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001AEA7D7D5C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000001AEA7D91F50, 16 bytes long.
 Data: < E&#217;&#167;&#174;           > 08 45 D9 A7 AE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001AEA7D92C70, 16 bytes long.
 Data: <&#224;D&#217;&#167;&#174;           > E0 44 D9 A7 AE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001AEA7D8D930, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000001AEA7D91E10, 16 bytes long.
 Data: <&#184;D&#217;&#167;&#174;           > B8 44 D9 A7 AE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001AEA7D92A90, 16 bytes long.
 Data: < D&#217;&#167;&#174;           > 90 44 D9 A7 AE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001AEA7D92950, 16 bytes long.
 Data: <hD&#217;&#167;&#174;           > 68 44 D9 A7 AE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001AEA7D923B0, 16 bytes long.
 Data: <@D&#217;&#167;&#174;           > 40 44 D9 A7 AE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001AEA7D8C550, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000001AEA7D92D60, 16 bytes long.
 Data: < \&#215;&#167;&#174;           > 08 5C D7 A7 AE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001AEA7D8D5D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000001AEA7D928B0, 16 bytes long.
 Data: <&#224;[&#215;&#167;&#174;           > E0 5B D7 A7 AE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001AEA7D92A40, 16 bytes long.
 Data: <&#184;[&#215;&#167;&#174;           > B8 5B D7 A7 AE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001AEA7D92360, 16 bytes long.
 Data: < [&#215;&#167;&#174;           > 90 5B D7 A7 AE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001AEA7D926D0, 16 bytes long.
 Data: <h[&#215;&#167;&#174;           > 68 5B D7 A7 AE 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001AEA7D92310, 16 bytes long.
 Data: <@[&#215;&#167;&#174;           > 40 5B D7 A7 AE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001AEA7D925E0, 16 bytes long.
 Data: < [&#215;&#167;&#174;           > 18 5B D7 A7 AE 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001AEA7D8DBD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000001AEA7D91E60, 16 bytes long.
 Data: <&#240;Z&#215;&#167;&#174;           > F0 5A D7 A7 AE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001AEA7D75AF0, 320 bytes long.
 Data: <` &#217;&#167;&#174;   &#208;&#219;&#216;&#167;&#174;   > 60 1E D9 A7 AE 01 00 00 D0 DB D8 A7 AE 01 00 00 
{268} normal block at 0x000001AEA7D92C20, 16 bytes long.
 Data: < D&#217;&#167;&#174;           > 20 44 D9 A7 AE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001AEA7D92270, 16 bytes long.
 Data: <&#248;C&#217;&#167;&#174;           > F8 43 D9 A7 AE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001AEA7D8E050, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000001AEA7D92B80, 16 bytes long.
 Data: <&#208;C&#217;&#167;&#174;           > D0 43 D9 A7 AE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001AEA7D8D8D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000001AEA7D927C0, 16 bytes long.
 Data: < C&#217;&#167;&#174;           > 18 43 D9 A7 AE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001AEA7D92590, 16 bytes long.
 Data: <&#240;B&#217;&#167;&#174;           > F0 42 D9 A7 AE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001AEA7D92400, 16 bytes long.
 Data: <&#200;B&#217;&#167;&#174;           > C8 42 D9 A7 AE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001AEA7D92220, 16 bytes long.
 Data: <&#160;B&#217;&#167;&#174;           > A0 42 D9 A7 AE 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001AEA7D92BD0, 16 bytes long.
 Data: <xB&#217;&#167;&#174;           > 78 42 D9 A7 AE 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001AEA7D92B30, 16 bytes long.
 Data: <PB&#217;&#167;&#174;           > 50 42 D9 A7 AE 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001AEA7D92540, 16 bytes long.
 Data: <`&#193;&#216;&#167;&#174;           > 60 C1 D8 A7 AE 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001AEA7D8C160, 40 bytes long.
 Data: <@%&#217;&#167;&#174;    T&#151;&#169;&#174;   > 40 25 D9 A7 AE 01 00 00 20 54 97 A9 AE 01 00 00 
{254} normal block at 0x000001AEA7D92900, 16 bytes long.
 Data: <0B&#217;&#167;&#174;           > 30 42 D9 A7 AE 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001AEA7D924A0, 16 bytes long.
 Data: < B&#217;&#167;&#174;           > 08 42 D9 A7 AE 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001AEA7D8DED0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000001AEA7D91FF0, 16 bytes long.
 Data: <&#224;A&#217;&#167;&#174;           > E0 41 D9 A7 AE 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001AEA7D941E0, 992 bytes long.
 Data: <&#240; &#217;&#167;&#174;   &#208;&#222;&#216;&#167;&#174;   > F0 1F D9 A7 AE 01 00 00 D0 DE D8 A7 AE 01 00 00 
{86} normal block at 0x000001AEA7D8E0B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000001AEA7D87F50, 16 bytes long.
 Data: <&#224;&#196;&#216;&#167;&#174;           > E0 C4 D8 A7 AE 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001AEA7D8C4E0, 40 bytes long.
 Data: <P &#216;&#167;&#174;   &#176;&#224;&#216;&#167;&#174;   > 50 7F D8 A7 AE 01 00 00 B0 E0 D8 A7 AE 01 00 00 
{63} normal block at 0x000001AEA7D87EB0, 16 bytes long.
 Data: < &#234;&#163;&#201;&#247;           > 80 EA A3 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001AEA7D87870, 16 bytes long.
 Data: <@&#233;&#163;&#201;&#247;           > 40 E9 A3 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001AEA7D87820, 16 bytes long.
 Data: <&#248;W&#160;&#201;&#247;           > F8 57 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001AEA7D874B0, 16 bytes long.
 Data: <&#216;W&#160;&#201;&#247;           > D8 57 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001AEA7D87AF0, 16 bytes long.
 Data: <P &#160;&#201;&#247;           > 50 04 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001AEA7D87D20, 16 bytes long.
 Data: <0 &#160;&#201;&#247;           > 30 04 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001AEA7D87CD0, 16 bytes long.
 Data: <&#224; &#160;&#201;&#247;           > E0 02 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001AEA7D87BE0, 16 bytes long.
 Data: <  &#160;&#201;&#247;           > 10 04 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001AEA7D87410, 16 bytes long.
 Data: <p &#160;&#201;&#247;           > 70 04 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001AEA7D88040, 16 bytes long.
 Data: < &#192;&#158;&#201;&#247;           > 18 C0 9E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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