Task 38664133

Name test_201-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND3663_0
Workunit 31607306
Created 24 Oct 2026, 23:14:26 UTC
Sent 24 Oct 2026, 23:14:29 UTC
Report deadline 29 Oct 2026, 23:14:29 UTC
Received 24 Oct 2026, 23:41:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652843
Run time 25 min 15 sec
CPU time 24 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,198.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 751.11 MB
Peak swap size 12.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:15:41 (14752): wrapper (7.9.26016): starting
18:15:41 (14752): 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
18:15:42 (14752): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:15:42 (14752): 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
18:40:11 (14752): C:/Windows/system32/cmd.exe exited; CPU time 1458.578125
18:40:11 (14752): 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: 23180721 bytes.
Dumping objects ->
{3835550} normal block at 0x000002588A485930, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x000002588A485690, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835528} normal block at 0x000002588A485BD0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835517} normal block at 0x000002588A485B60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835506} normal block at 0x000002588A485700, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835475} normal block at 0x000002588C0DCAE0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835464} normal block at 0x000002588C13DEC0, 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) : {3835461} normal block at 0x000002588A47DE30, 8 bytes long.
 Data: <  D&#138;X   > 00 00 44 8A 58 02 00 00 
{3834683} normal block at 0x000002588C13E440, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000002588A47DD40, 8 bytes long.
 Data: < S &#140;X   > 90 53 18 8C 58 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002588A480850, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002588A475270, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000002588A484F40, 16 bytes long.
 Data: <hTH&#138;X           > 68 54 48 8A 58 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002588A4849A0, 16 bytes long.
 Data: <@TH&#138;X           > 40 54 48 8A 58 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002588A47F880, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000002588A4845E0, 16 bytes long.
 Data: < TH&#138;X           > 18 54 48 8A 58 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002588A4848B0, 16 bytes long.
 Data: <&#240;SH&#138;X           > F0 53 48 8A 58 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002588A484E50, 16 bytes long.
 Data: <&#200;SH&#138;X           > C8 53 48 8A 58 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002588A484860, 16 bytes long.
 Data: <&#160;SH&#138;X           > A0 53 48 8A 58 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002588A485850, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000002588A484590, 16 bytes long.
 Data: <8&#134;G&#138;X           > 38 86 47 8A 58 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002588A47F580, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000002588A484950, 16 bytes long.
 Data: < &#134;G&#138;X           > 10 86 47 8A 58 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002588A484360, 16 bytes long.
 Data: <&#232;&#133;G&#138;X           > E8 85 47 8A 58 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002588A484F90, 16 bytes long.
 Data: <&#192;&#133;G&#138;X           > C0 85 47 8A 58 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002588A484BD0, 16 bytes long.
 Data: < &#133;G&#138;X           > 98 85 47 8A 58 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002588A484810, 16 bytes long.
 Data: <p&#133;G&#138;X           > 70 85 47 8A 58 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002588A484630, 16 bytes long.
 Data: <H&#133;G&#138;X           > 48 85 47 8A 58 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002588A47F280, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000002588A4847C0, 16 bytes long.
 Data: < &#133;G&#138;X           > 20 85 47 8A 58 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002588A478520, 320 bytes long.
 Data: <&#192;GH&#138;X    &#242;G&#138;X   > C0 47 48 8A 58 02 00 00 80 F2 47 8A 58 02 00 00 
{273} normal block at 0x000002588A4843B0, 16 bytes long.
 Data: < SH&#138;X           > 80 53 48 8A 58 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002588A484A90, 16 bytes long.
 Data: <XSH&#138;X           > 58 53 48 8A 58 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002588A47EE60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000002588A484A40, 16 bytes long.
 Data: <0SH&#138;X           > 30 53 48 8A 58 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002588A47FA00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000002588A484720, 16 bytes long.
 Data: <xRH&#138;X           > 78 52 48 8A 58 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002588A484900, 16 bytes long.
 Data: <PRH&#138;X           > 50 52 48 8A 58 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002588A484220, 16 bytes long.
 Data: <(RH&#138;X           > 28 52 48 8A 58 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002588A484180, 16 bytes long.
 Data: < RH&#138;X           > 00 52 48 8A 58 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002588A4844F0, 16 bytes long.
 Data: <&#216;QH&#138;X           > D8 51 48 8A 58 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002588A4844A0, 16 bytes long.
 Data: <&#176;QH&#138;X           > B0 51 48 8A 58 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002588A484770, 16 bytes long.
 Data: < &#228;F&#138;X           > 80 E4 46 8A 58 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002588A46E480, 40 bytes long.
 Data: <pGH&#138;X   &#224;&#202; &#140;X   > 70 47 48 8A 58 02 00 00 E0 CA 0D 8C 58 02 00 00 
{259} normal block at 0x000002588A484540, 16 bytes long.
 Data: < QH&#138;X           > 90 51 48 8A 58 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002588A4842C0, 16 bytes long.
 Data: <hQH&#138;X           > 68 51 48 8A 58 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002588A47F4C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000002588A484400, 16 bytes long.
 Data: <@QH&#138;X           > 40 51 48 8A 58 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002588A485140, 992 bytes long.
 Data: < DH&#138;X   &#192;&#244;G&#138;X   > 00 44 48 8A 58 02 00 00 C0 F4 47 8A 58 02 00 00 
{91} normal block at 0x000002588A47FA60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000002588A47DD90, 16 bytes long.
 Data: <0&#220;F&#138;X           > 30 DC 46 8A 58 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000002588A46DC30, 40 bytes long.
 Data: < &#221;G&#138;X   `&#250;G&#138;X   > 90 DD 47 8A 58 02 00 00 60 FA 47 8A 58 02 00 00 
{68} normal block at 0x000002588A47EAB0, 16 bytes long.
 Data: < &#234;2&#181;&#246;           > 80 EA 32 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002588A47EA60, 16 bytes long.
 Data: <@&#233;2&#181;&#246;           > 40 E9 32 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002588A47E510, 16 bytes long.
 Data: <&#248;W/&#181;&#246;           > F8 57 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002588A47DC50, 16 bytes long.
 Data: <&#216;W/&#181;&#246;           > D8 57 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002588A47DED0, 16 bytes long.
 Data: <P /&#181;&#246;           > 50 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002588A47DDE0, 16 bytes long.
 Data: <0 /&#181;&#246;           > 30 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002588A47DE80, 16 bytes long.
 Data: <&#224; /&#181;&#246;           > E0 02 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002588A47DF70, 16 bytes long.
 Data: <  /&#181;&#246;           > 10 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002588A47E4C0, 16 bytes long.
 Data: <p /&#181;&#246;           > 70 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002588A47EA10, 16 bytes long.
 Data: < &#192;-&#181;&#246;           > 18 C0 2D B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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