Task 38685638

Name test_589-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND2647_0
Workunit 31627099
Created 27 Oct 2026, 22:10:34 UTC
Sent 27 Oct 2026, 22:10:38 UTC
Report deadline 1 Nov 2026, 22:10:38 UTC
Received 28 Oct 2026, 0:24:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609517
Run time 35 min 9 sec
CPU time 35 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,130.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.71 MB
Peak swap size 12.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:48:41 (43460): wrapper (7.9.26016): starting
00:48:41 (43460): 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
00:48:43 (43460): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:48:43 (43460): 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\5\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\5\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
01:23:47 (43460): C:/Windows/system32/cmd.exe exited; CPU time 2109.312500
01:23:47 (43460): 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: 39951457 bytes.
Dumping objects ->
{3835277} normal block at 0x000001C9B5E9CB30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x000001C9B5E9D150, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x000001C9B5E9D2A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835244} normal block at 0x000001C9B5E9CEB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000001C9B41446C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835202} normal block at 0x000001C9B5EE43C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x000001C9B5EFE640, 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) : {3835188} normal block at 0x000001C9B413EFD0, 8 bytes long.
 Data: <   &#180;&#201;   > 00 00 0E B4 C9 01 00 00 
{3834564} normal block at 0x000001C9B5EFE900, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001C9B413F520, 8 bytes long.
 Data: <&#160;1&#244;&#181;&#201;   > A0 31 F4 B5 C9 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001C9B4140FF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C9B4136670, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001C9B4146040, 16 bytes long.
 Data: <&#248;f &#180;&#201;           > F8 66 14 B4 C9 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C9B41461D0, 16 bytes long.
 Data: <&#208;f &#180;&#201;           > D0 66 14 B4 C9 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C9B4140320, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001C9B4145A50, 16 bytes long.
 Data: <&#168;f &#180;&#201;           > A8 66 14 B4 C9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C9B4145AF0, 16 bytes long.
 Data: < f &#180;&#201;           > 80 66 14 B4 C9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C9B4145F00, 16 bytes long.
 Data: <Xf &#180;&#201;           > 58 66 14 B4 C9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C9B4146180, 16 bytes long.
 Data: <0f &#180;&#201;           > 30 66 14 B4 C9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C9B41447A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001C9B4145AA0, 16 bytes long.
 Data: <&#232;  &#180;&#201;           > E8 8F 13 B4 C9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C9B4140020, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001C9B4145C80, 16 bytes long.
 Data: <&#192;  &#180;&#201;           > C0 8F 13 B4 C9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C9B4145FF0, 16 bytes long.
 Data: <   &#180;&#201;           > 98 8F 13 B4 C9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C9B4146310, 16 bytes long.
 Data: <p  &#180;&#201;           > 70 8F 13 B4 C9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C9B4145870, 16 bytes long.
 Data: <H  &#180;&#201;           > 48 8F 13 B4 C9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C9B4145B40, 16 bytes long.
 Data: <   &#180;&#201;           > 20 8F 13 B4 C9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C9B41459B0, 16 bytes long.
 Data: <&#248;&#142; &#180;&#201;           > F8 8E 13 B4 C9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C9B413FDE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001C9B4145D70, 16 bytes long.
 Data: <&#208;&#142; &#180;&#201;           > D0 8E 13 B4 C9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C9B4138ED0, 320 bytes long.
 Data: <p] &#180;&#201;   &#224;&#253; &#180;&#201;   > 70 5D 14 B4 C9 01 00 00 E0 FD 13 B4 C9 01 00 00 
{275} normal block at 0x000001C9B4145EB0, 16 bytes long.
 Data: < f &#180;&#201;           > 10 66 14 B4 C9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C9B4145FA0, 16 bytes long.
 Data: <&#232;e &#180;&#201;           > E8 65 14 B4 C9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C9B4140380, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001C9B4146360, 16 bytes long.
 Data: <&#192;e &#180;&#201;           > C0 65 14 B4 C9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C9B413F900, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001C9B41462C0, 16 bytes long.
 Data: < e &#180;&#201;           > 08 65 14 B4 C9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C9B4145550, 16 bytes long.
 Data: <&#224;d &#180;&#201;           > E0 64 14 B4 C9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C9B4145500, 16 bytes long.
 Data: <&#184;d &#180;&#201;           > B8 64 14 B4 C9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C9B4145640, 16 bytes long.
 Data: < d &#180;&#201;           > 90 64 14 B4 C9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C9B4145960, 16 bytes long.
 Data: <hd &#180;&#201;           > 68 64 14 B4 C9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C9B41457D0, 16 bytes long.
 Data: <@d &#180;&#201;           > 40 64 14 B4 C9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C9B4145E60, 16 bytes long.
 Data: <`I &#180;&#201;           > 60 49 14 B4 C9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C9B4144960, 40 bytes long.
 Data: <`^ &#180;&#201;   &#192;C&#238;&#181;&#201;   > 60 5E 14 B4 C9 01 00 00 C0 43 EE B5 C9 01 00 00 
{261} normal block at 0x000001C9B41458C0, 16 bytes long.
 Data: < d &#180;&#201;           > 20 64 14 B4 C9 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C9B4145780, 16 bytes long.
 Data: <&#248;c &#180;&#201;           > F8 63 14 B4 C9 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C9B413FF00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001C9B4145910, 16 bytes long.
 Data: <&#208;c &#180;&#201;           > D0 63 14 B4 C9 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001C9B41463D0, 992 bytes long.
 Data: < Y &#180;&#201;    &#255; &#180;&#201;   > 10 59 14 B4 C9 01 00 00 00 FF 13 B4 C9 01 00 00 
{93} normal block at 0x000001C9B413FC00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001C9B413F160, 16 bytes long.
 Data: < L &#180;&#201;           > 00 4C 14 B4 C9 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001C9B4144C00, 40 bytes long.
 Data: <`&#241; &#180;&#201;    &#252; &#180;&#201;   > 60 F1 13 B4 C9 01 00 00 00 FC 13 B4 C9 01 00 00 
{70} normal block at 0x000001C9B413F4D0, 16 bytes long.
 Data: < &#234;k&#158;&#246;           > 80 EA 6B 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C9B413F340, 16 bytes long.
 Data: <@&#233;k&#158;&#246;           > 40 E9 6B 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C9B413ED50, 16 bytes long.
 Data: <&#248;Wh&#158;&#246;           > F8 57 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C9B413EDF0, 16 bytes long.
 Data: <&#216;Wh&#158;&#246;           > D8 57 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C9B413F110, 16 bytes long.
 Data: <P h&#158;&#246;           > 50 04 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C9B413F480, 16 bytes long.
 Data: <0 h&#158;&#246;           > 30 04 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C9B413EA30, 16 bytes long.
 Data: <&#224; h&#158;&#246;           > E0 02 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C9B413EDA0, 16 bytes long.
 Data: <  h&#158;&#246;           > 10 04 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C9B413EF30, 16 bytes long.
 Data: <p h&#158;&#246;           > 70 04 68 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C9B413EF80, 16 bytes long.
 Data: < &#192;f&#158;&#246;           > 18 C0 66 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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