Task 38666677

Name test_825-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND0791_1
Workunit 31606364
Created 25 Oct 2026, 4:21:15 UTC
Sent 25 Oct 2026, 4:39:57 UTC
Report deadline 30 Oct 2026, 4:39:57 UTC
Received 25 Oct 2026, 6:00:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550955
Run time 51 min 18 sec
CPU time 45 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,243.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.87 MB
Peak swap size 9.90 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:09:18 (16584): wrapper (7.9.26016): starting
06:09:18 (16584): 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
06:09:19 (16584): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:09:19 (16584): 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
06:59:37 (16584): C:/Windows/system32/cmd.exe exited; CPU time 2735.640625
06:59:37 (16584): 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: 38095543 bytes.
Dumping objects ->
{3835234} normal block at 0x000001C06DE362D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000001C06DE35700, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001C06DE35690, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x000001C06DE360A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x000001C06C145850, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x000001C06DD8DD40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x000001C06DDEF2B0, 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) : {3835145} normal block at 0x000001C06C13FE50, 8 bytes long.
 Data: <   l&#192;   > 00 00 0E 6C C0 01 00 00 
{3834542} normal block at 0x000001C06DDEF830, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001C06C13FEA0, 8 bytes long.
 Data: <&#240;&#156;&#227;m&#192;   > F0 9C E3 6D C0 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001C06C142320, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001C06C12FC90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001C06C1464F0, 16 bytes long.
 Data: <&#216;r l&#192;           > D8 72 14 6C C0 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001C06C146B30, 16 bytes long.
 Data: <&#176;r l&#192;           > B0 72 14 6C C0 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C06C141130, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001C06C1464A0, 16 bytes long.
 Data: < r l&#192;           > 88 72 14 6C C0 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C06C146630, 16 bytes long.
 Data: <`r l&#192;           > 60 72 14 6C C0 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C06C146130, 16 bytes long.
 Data: <8r l&#192;           > 38 72 14 6C C0 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C06C146DB0, 16 bytes long.
 Data: < r l&#192;           > 10 72 14 6C C0 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C06C1458C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001C06C146F40, 16 bytes long.
 Data: <H&#158; l&#192;           > 48 9E 13 6C C0 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C06C140B30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001C06C146310, 16 bytes long.
 Data: < &#158; l&#192;           > 20 9E 13 6C C0 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C06C1465E0, 16 bytes long.
 Data: <&#248;  l&#192;           > F8 9D 13 6C C0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C06C1462C0, 16 bytes long.
 Data: <&#208;  l&#192;           > D0 9D 13 6C C0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C06C146D60, 16 bytes long.
 Data: <&#168;  l&#192;           > A8 9D 13 6C C0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C06C146090, 16 bytes long.
 Data: <   l&#192;           > 80 9D 13 6C C0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C06C146EA0, 16 bytes long.
 Data: <X  l&#192;           > 58 9D 13 6C C0 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C06C1413D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001C06C146220, 16 bytes long.
 Data: <0  l&#192;           > 30 9D 13 6C C0 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C06C139D30, 320 bytes long.
 Data: < b l&#192;   &#208;  l&#192;   > 20 62 14 6C C0 01 00 00 D0 13 14 6C C0 01 00 00 
{276} normal block at 0x000001C06C146270, 16 bytes long.
 Data: <&#240;q l&#192;           > F0 71 14 6C C0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C06C146860, 16 bytes long.
 Data: <&#200;q l&#192;           > C8 71 14 6C C0 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C06C140C50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001C06C146EF0, 16 bytes long.
 Data: <&#160;q l&#192;           > A0 71 14 6C C0 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C06C140AD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001C06C146E50, 16 bytes long.
 Data: <&#232;p l&#192;           > E8 70 14 6C C0 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C06C146BD0, 16 bytes long.
 Data: <&#192;p l&#192;           > C0 70 14 6C C0 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C06C146810, 16 bytes long.
 Data: < p l&#192;           > 98 70 14 6C C0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C06C145FF0, 16 bytes long.
 Data: <pp l&#192;           > 70 70 14 6C C0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C06C146040, 16 bytes long.
 Data: <Hp l&#192;           > 48 70 14 6C C0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C06C146C20, 16 bytes long.
 Data: < p l&#192;           > 20 70 14 6C C0 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C06C146450, 16 bytes long.
 Data: <&#176;\ l&#192;           > B0 5C 14 6C C0 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C06C145CB0, 40 bytes long.
 Data: <Pd l&#192;   @&#221;&#216;m&#192;   > 50 64 14 6C C0 01 00 00 40 DD D8 6D C0 01 00 00 
{262} normal block at 0x000001C06C1461D0, 16 bytes long.
 Data: < p l&#192;           > 00 70 14 6C C0 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C06C146D10, 16 bytes long.
 Data: <&#216;o l&#192;           > D8 6F 14 6C C0 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C06C140E30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001C06C146590, 16 bytes long.
 Data: <&#176;o l&#192;           > B0 6F 14 6C C0 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001C06C146FB0, 992 bytes long.
 Data: < e l&#192;   0  l&#192;   > 90 65 14 6C C0 01 00 00 30 0E 14 6C C0 01 00 00 
{94} normal block at 0x000001C06C140950, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001C06C13FA40, 16 bytes long.
 Data: <0Y l&#192;           > 30 59 14 6C C0 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001C06C145930, 40 bytes long.
 Data: <@&#250; l&#192;   P	 l&#192;   > 40 FA 13 6C C0 01 00 00 50 09 14 6C C0 01 00 00 
{71} normal block at 0x000001C06C13FC20, 16 bytes long.
 Data: < &#234;9T&#246;           > 80 EA 39 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001C06C1402B0, 16 bytes long.
 Data: <@&#233;9T&#246;           > 40 E9 39 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C06C13F7C0, 16 bytes long.
 Data: <&#248;W6T&#246;           > F8 57 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C06C13FBD0, 16 bytes long.
 Data: <&#216;W6T&#246;           > D8 57 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C06C140260, 16 bytes long.
 Data: <P 6T&#246;           > 50 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C06C1400D0, 16 bytes long.
 Data: <0 6T&#246;           > 30 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C06C13F9F0, 16 bytes long.
 Data: <&#224; 6T&#246;           > E0 02 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C06C140710, 16 bytes long.
 Data: <  6T&#246;           > 10 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C06C1401C0, 16 bytes long.
 Data: <p 6T&#246;           > 70 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C06C13FB80, 16 bytes long.
 Data: < &#192;4T&#246;           > 18 C0 34 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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