Task 38686638

Name test_713-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND8003_0
Workunit 31628063
Created 28 Oct 2026, 3:39:04 UTC
Sent 28 Oct 2026, 3:39:08 UTC
Report deadline 2 Nov 2026, 3:39:08 UTC
Received 28 Oct 2026, 4:20:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652808
Run time 31 min 49 sec
CPU time 31 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,847.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 705.93 MB
Peak swap size 5.40 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:43:07 (17600): wrapper (7.9.26016): starting
04:43:07 (17600): 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
04:43:08 (17600): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:43:08 (17600): 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\22\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\22\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
05:19:32 (17600): C:/Windows/system32/cmd.exe exited; CPU time 1909.328125
05:19:32 (17600): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 39699541 bytes.
Dumping objects ->
{3835197} normal block at 0x000001712C05D0E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x000001712A474D20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000001712A475420, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835164} normal block at 0x000001712A4753B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x000001712A4752D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835122} normal block at 0x000001712C0A89E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835109} normal block at 0x000001712A46FE70, 8 bytes long.
 Data: <   *q   > 00 00 80 2A 71 01 00 00 
{3833961} normal block at 0x000001712A46F790, 8 bytes long.
 Data: < &#220;E*q   > 10 DC 45 2A 71 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001712A471560, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001712A466220, 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 0x000001712A4765D0, 16 bytes long.
 Data: <&#248;jG*q           > F8 6A 47 2A 71 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001712A4764E0, 16 bytes long.
 Data: <&#208;jG*q           > D0 6A 47 2A 71 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001712A46DD20, 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 0x000001712A476440, 16 bytes long.
 Data: <&#168;jG*q           > A8 6A 47 2A 71 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001712A4758B0, 16 bytes long.
 Data: < jG*q           > 80 6A 47 2A 71 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001712A4763A0, 16 bytes long.
 Data: <XjG*q           > 58 6A 47 2A 71 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001712A475860, 16 bytes long.
 Data: <0jG*q           > 30 6A 47 2A 71 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001712A475110, 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 0x000001712A4761C0, 16 bytes long.
 Data: <&#200;&#185;E*q           > C8 B9 45 2A 71 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001712A46DCC0, 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 0x000001712A4760D0, 16 bytes long.
 Data: <&#160;&#185;E*q           > A0 B9 45 2A 71 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001712A476350, 16 bytes long.
 Data: <x&#185;E*q           > 78 B9 45 2A 71 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001712A476120, 16 bytes long.
 Data: <P&#185;E*q           > 50 B9 45 2A 71 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001712A4763F0, 16 bytes long.
 Data: <(&#185;E*q           > 28 B9 45 2A 71 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001712A475DB0, 16 bytes long.
 Data: < &#185;E*q           > 00 B9 45 2A 71 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001712A476170, 16 bytes long.
 Data: <&#216;&#184;E*q           > D8 B8 45 2A 71 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001712A46DE40, 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 0x000001712A476080, 16 bytes long.
 Data: <&#176;&#184;E*q           > B0 B8 45 2A 71 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001712A45B8B0, 320 bytes long.
 Data: < `G*q   @&#222;F*q   > 80 60 47 2A 71 01 00 00 40 DE 46 2A 71 01 00 00 
{276} normal block at 0x000001712A476490, 16 bytes long.
 Data: < jG*q           > 10 6A 47 2A 71 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001712A476260, 16 bytes long.
 Data: <&#232;iG*q           > E8 69 47 2A 71 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001712A46D540, 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 0x000001712A475D10, 16 bytes long.
 Data: <&#192;iG*q           > C0 69 47 2A 71 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001712A46D600, 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 0x000001712A475A90, 16 bytes long.
 Data: < iG*q           > 08 69 47 2A 71 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001712A475F40, 16 bytes long.
 Data: <&#224;hG*q           > E0 68 47 2A 71 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001712A476760, 16 bytes long.
 Data: <&#184;hG*q           > B8 68 47 2A 71 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001712A475F90, 16 bytes long.
 Data: < hG*q           > 90 68 47 2A 71 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001712A475950, 16 bytes long.
 Data: <hhG*q           > 68 68 47 2A 71 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001712A475810, 16 bytes long.
 Data: <@hG*q           > 40 68 47 2A 71 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001712A476710, 16 bytes long.
 Data: < NG*q           > 00 4E 47 2A 71 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001712A474E00, 40 bytes long.
 Data: < gG*q   &#224;&#137; ,q   > 10 67 47 2A 71 01 00 00 E0 89 0A 2C 71 01 00 00 
{262} normal block at 0x000001712A475FE0, 16 bytes long.
 Data: < hG*q           > 20 68 47 2A 71 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001712A475CC0, 16 bytes long.
 Data: <&#248;gG*q           > F8 67 47 2A 71 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001712A46DF60, 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 0x000001712A475D60, 16 bytes long.
 Data: <&#208;gG*q           > D0 67 47 2A 71 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001712A4767D0, 992 bytes long.
 Data: <`]G*q   `&#223;F*q   > 60 5D 47 2A 71 01 00 00 60 DF 46 2A 71 01 00 00 
{94} normal block at 0x000001712A46D300, 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 0x000001712A46FDD0, 16 bytes long.
 Data: <` F*q           > 60 8F 46 2A 71 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001712A468F60, 40 bytes long.
 Data: <&#208;&#253;F*q    &#211;F*q   > D0 FD 46 2A 71 01 00 00 00 D3 46 2A 71 01 00 00 
{71} normal block at 0x000001712A46F510, 16 bytes long.
 Data: < &#234;&#156;&#219;&#246;           > 80 EA 9C DB F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001712A46FC40, 16 bytes long.
 Data: <@&#233;&#156;&#219;&#246;           > 40 E9 9C DB F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001712A4700F0, 16 bytes long.
 Data: <&#248;W &#219;&#246;           > F8 57 99 DB F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001712A46F740, 16 bytes long.
 Data: <&#216;W &#219;&#246;           > D8 57 99 DB F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001712A470140, 16 bytes long.
 Data: <P  &#219;&#246;           > 50 04 99 DB F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001712A46FB00, 16 bytes long.
 Data: <0  &#219;&#246;           > 30 04 99 DB F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001712A46F3D0, 16 bytes long.
 Data: <&#224;  &#219;&#246;           > E0 02 99 DB F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001712A470000, 16 bytes long.
 Data: <   &#219;&#246;           > 10 04 99 DB F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001712A46F650, 16 bytes long.
 Data: <p  &#219;&#246;           > 70 04 99 DB F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001712A46FBF0, 16 bytes long.
 Data: < &#192;&#151;&#219;&#246;           > 18 C0 97 DB F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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