Task 38684066

Name test_630-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND4712_0
Workunit 31625592
Created 27 Oct 2026, 14:35:11 UTC
Sent 27 Oct 2026, 14:35:23 UTC
Report deadline 1 Nov 2026, 14:35:23 UTC
Received 27 Oct 2026, 15:43:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550955
Run time 50 min 52 sec
CPU time 44 min 59 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 722.14 MB
Peak swap size 9.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:52:45 (16300): wrapper (7.9.26016): starting
15:52:45 (16300): 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
15:52:46 (16300): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:52:46 (16300): 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
16:42:41 (16300): C:/Windows/system32/cmd.exe exited; CPU time 2699.812500
16:42:41 (16300): 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: 38029489 bytes.
Dumping objects ->
{3835234} normal block at 0x000002112795DED0, 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 0x000002112795D840, 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 0x000002112795D760, 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 0x000002112795DFB0, 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 0x0000021125D14CD0, 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 0x00000211279A71B0, 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 0x00000211279BECE0, 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 0x0000021125D0F220, 8 bytes long.
 Data: <  &#201;%    > 00 00 C9 25 11 02 00 00 
{3834542} normal block at 0x00000211279BE810, 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 0x0000021125D0F8B0, 8 bytes long.
 Data: <02&#160;'    > 30 32 A0 27 11 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000021125D11100, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021125D06B50, 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 0x0000021125D16680, 16 bytes long.
 Data: <Xk&#209;%            > 58 6B D1 25 11 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021125D164A0, 16 bytes long.
 Data: <0k&#209;%            > 30 6B D1 25 11 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021125D107B0, 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 0x0000021125D15C80, 16 bytes long.
 Data: < k&#209;%            > 08 6B D1 25 11 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021125D15D70, 16 bytes long.
 Data: <&#224;j&#209;%            > E0 6A D1 25 11 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021125D15C30, 16 bytes long.
 Data: <&#184;j&#209;%            > B8 6A D1 25 11 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021125D161D0, 16 bytes long.
 Data: < j&#209;%            > 90 6A D1 25 11 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021125D15360, 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 0x0000021125D16360, 16 bytes long.
 Data: <&#200;&#240;&#207;%            > C8 F0 CF 25 11 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021125D0FDF0, 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 0x0000021125D15B90, 16 bytes long.
 Data: <&#160;&#240;&#207;%            > A0 F0 CF 25 11 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021125D166D0, 16 bytes long.
 Data: <x&#240;&#207;%            > 78 F0 CF 25 11 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021125D16180, 16 bytes long.
 Data: <P&#240;&#207;%            > 50 F0 CF 25 11 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021125D167C0, 16 bytes long.
 Data: <(&#240;&#207;%            > 28 F0 CF 25 11 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021125D15A00, 16 bytes long.
 Data: < &#240;&#207;%            > 00 F0 CF 25 11 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021125D16220, 16 bytes long.
 Data: <&#216;&#239;&#207;%            > D8 EF CF 25 11 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021125D10750, 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 0x0000021125D15870, 16 bytes long.
 Data: <&#176;&#239;&#207;%            > B0 EF CF 25 11 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021125CFEFB0, 320 bytes long.
 Data: <pX&#209;%    P &#209;%    > 70 58 D1 25 11 02 00 00 50 07 D1 25 11 02 00 00 
{276} normal block at 0x0000021125D16590, 16 bytes long.
 Data: <pj&#209;%            > 70 6A D1 25 11 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021125D15EB0, 16 bytes long.
 Data: <Hj&#209;%            > 48 6A D1 25 11 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021125D105D0, 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 0x0000021125D16130, 16 bytes long.
 Data: < j&#209;%            > 20 6A D1 25 11 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021125D10570, 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 0x0000021125D15B40, 16 bytes long.
 Data: <hi&#209;%            > 68 69 D1 25 11 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021125D160E0, 16 bytes long.
 Data: <@i&#209;%            > 40 69 D1 25 11 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021125D16090, 16 bytes long.
 Data: < i&#209;%            > 18 69 D1 25 11 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021125D16040, 16 bytes long.
 Data: <&#240;h&#209;%            > F0 68 D1 25 11 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021125D15F00, 16 bytes long.
 Data: <&#200;h&#209;%            > C8 68 D1 25 11 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021125D15960, 16 bytes long.
 Data: <&#160;h&#209;%            > A0 68 D1 25 11 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021125D15FF0, 16 bytes long.
 Data: <&#176;M&#209;%            > B0 4D D1 25 11 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021125D14DB0, 40 bytes long.
 Data: <&#240;_&#209;%    &#176;q&#154;'    > F0 5F D1 25 11 02 00 00 B0 71 9A 27 11 02 00 00 
{262} normal block at 0x0000021125D16720, 16 bytes long.
 Data: < h&#209;%            > 80 68 D1 25 11 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021125D15CD0, 16 bytes long.
 Data: <Xh&#209;%            > 58 68 D1 25 11 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021125D109F0, 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 0x0000021125D15BE0, 16 bytes long.
 Data: <0h&#209;%            > 30 68 D1 25 11 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021125D16830, 992 bytes long.
 Data: <&#224;[&#209;%    &#240;	&#209;%    > E0 5B D1 25 11 02 00 00 F0 09 D1 25 11 02 00 00 
{94} normal block at 0x0000021125D10090, 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 0x0000021125D0F9A0, 16 bytes long.
 Data: <@M&#209;%            > 40 4D D1 25 11 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000021125D14D40, 40 bytes long.
 Data: <&#160;&#249;&#208;%      &#209;%    > A0 F9 D0 25 11 02 00 00 90 00 D1 25 11 02 00 00 
{71} normal block at 0x0000021125D0EE60, 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 0x0000021125D0FA90, 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 0x0000021125D0F590, 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 0x0000021125D0F720, 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 0x0000021125D0F450, 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 0x0000021125D0EF50, 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 0x0000021125D0F130, 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 0x0000021125D0EFA0, 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 0x0000021125D0F950, 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 0x0000021125D0FA40, 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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