Task 38679731

Name test_618-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND7050_0
Workunit 31621495
Created 26 Oct 2026, 21:33:16 UTC
Sent 26 Oct 2026, 21:33:23 UTC
Report deadline 31 Oct 2026, 21:33:23 UTC
Received 26 Oct 2026, 22:14:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 527233
Run time 40 min 5 sec
CPU time 37 min 16 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 687.21 MB
Peak swap size 6.85 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:34:27 (4168): wrapper (7.9.26016): starting
17:34:27 (4168): 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
17:34:28 (4168): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:34:28 (4168): 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\13\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\13\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
18:13:34 (4168): C:/Windows/system32/cmd.exe exited; CPU time 2236.890625
18:13:34 (4168): 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: 29508407 bytes.
Dumping objects ->
{3835219} normal block at 0x00000203DC14AFB0, 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 0x00000203DC14AD10, 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 0x00000203DC14AED0, 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 0x00000203DC14AD80, 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 0x00000203DA56BF50, 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 0x00000203DC1956C0, 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 0x00000203DC1AD0D0, 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 0x00000203DA567AC0, 8 bytes long.
 Data: <  S&#218;    > 00 00 53 DA 03 02 00 00 
{3834526} normal block at 0x00000203DC1ACF70, 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 0x00000203DA568060, 8 bytes long.
 Data: <&#208;)"&#220;    > D0 29 22 DC 03 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000203DA570E90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000203DA55D550, 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 0x00000203DA5727E0, 16 bytes long.
 Data: <&#216;DW&#218;            > D8 44 57 DA 03 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000203DA571E30, 16 bytes long.
 Data: <&#176;DW&#218;            > B0 44 57 DA 03 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000203DA56D7D0, 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 0x00000203DA571DE0, 16 bytes long.
 Data: < DW&#218;            > 88 44 57 DA 03 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000203DA572790, 16 bytes long.
 Data: <`DW&#218;            > 60 44 57 DA 03 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000203DA572420, 16 bytes long.
 Data: <8DW&#218;            > 38 44 57 DA 03 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000203DA572CE0, 16 bytes long.
 Data: < DW&#218;            > 10 44 57 DA 03 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000203DA56C570, 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 0x00000203DA5720B0, 16 bytes long.
 Data: < \U&#218;            > 08 5C 55 DA 03 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000203DA56DCB0, 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 0x00000203DA572C90, 16 bytes long.
 Data: <&#224;[U&#218;            > E0 5B 55 DA 03 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000203DA572560, 16 bytes long.
 Data: <&#184;[U&#218;            > B8 5B 55 DA 03 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000203DA5726F0, 16 bytes long.
 Data: < [U&#218;            > 90 5B 55 DA 03 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000203DA572C40, 16 bytes long.
 Data: <h[U&#218;            > 68 5B 55 DA 03 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000203DA572D30, 16 bytes long.
 Data: <@[U&#218;            > 40 5B 55 DA 03 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000203DA572010, 16 bytes long.
 Data: < [U&#218;            > 18 5B 55 DA 03 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000203DA56DE90, 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 0x00000203DA572BF0, 16 bytes long.
 Data: <&#240;ZU&#218;            > F0 5A 55 DA 03 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000203DA555AF0, 320 bytes long.
 Data: <&#240;+W&#218;     &#222;V&#218;    > F0 2B 57 DA 03 02 00 00 90 DE 56 DA 03 02 00 00 
{268} normal block at 0x00000203DA572290, 16 bytes long.
 Data: <&#240;CW&#218;            > F0 43 57 DA 03 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000203DA571FC0, 16 bytes long.
 Data: <&#200;CW&#218;            > C8 43 57 DA 03 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000203DA56DF50, 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 0x00000203DA572B00, 16 bytes long.
 Data: <&#160;CW&#218;            > A0 43 57 DA 03 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000203DA56E010, 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 0x00000203DA5726A0, 16 bytes long.
 Data: <&#232;BW&#218;            > E8 42 57 DA 03 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000203DA572650, 16 bytes long.
 Data: <&#192;BW&#218;            > C0 42 57 DA 03 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000203DA571E80, 16 bytes long.
 Data: < BW&#218;            > 98 42 57 DA 03 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000203DA572A60, 16 bytes long.
 Data: <pBW&#218;            > 70 42 57 DA 03 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000203DA572600, 16 bytes long.
 Data: <HBW&#218;            > 48 42 57 DA 03 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000203DA572240, 16 bytes long.
 Data: < BW&#218;            > 20 42 57 DA 03 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000203DA572060, 16 bytes long.
 Data: <&#176;&#195;V&#218;            > B0 C3 56 DA 03 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000203DA56C3B0, 40 bytes long.
 Data: <` W&#218;    &#192;V &#220;    > 60 20 57 DA 03 02 00 00 C0 56 19 DC 03 02 00 00 
{254} normal block at 0x00000203DA572BA0, 16 bytes long.
 Data: < BW&#218;            > 00 42 57 DA 03 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000203DA572A10, 16 bytes long.
 Data: <&#216;AW&#218;            > D8 41 57 DA 03 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000203DA56D770, 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 0x00000203DA5725B0, 16 bytes long.
 Data: <&#176;AW&#218;            > B0 41 57 DA 03 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000203DA5741B0, 992 bytes long.
 Data: <&#176;%W&#218;    p&#215;V&#218;    > B0 25 57 DA 03 02 00 00 70 D7 56 DA 03 02 00 00 
{86} normal block at 0x00000203DA56D530, 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 0x00000203DA567A70, 16 bytes long.
 Data: <&#160;&#192;V&#218;            > A0 C0 56 DA 03 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x00000203DA56C0A0, 40 bytes long.
 Data: <pzV&#218;    0&#213;V&#218;    > 70 7A 56 DA 03 02 00 00 30 D5 56 DA 03 02 00 00 
{63} normal block at 0x00000203DA567DE0, 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 0x00000203DA567BB0, 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 0x00000203DA567340, 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 0x00000203DA567750, 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 0x00000203DA567700, 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 0x00000203DA5672F0, 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 0x00000203DA568150, 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 0x00000203DA567980, 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 0x00000203DA567250, 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 0x00000203DA567CF0, 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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