Task 38695392

Name test_575-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND4817_0
Workunit 31636099
Created 31 Oct 2026, 10:03:49 UTC
Sent 31 Oct 2026, 10:03:54 UTC
Report deadline 5 Nov 2026, 10:03:54 UTC
Received 31 Oct 2026, 11:01:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 512671
Run time 28 min 56 sec
CPU time 27 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,451.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 717.08 MB
Peak swap size 9.82 GB
Peak disk usage 3.34 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:33:38 (249948): wrapper (7.9.26016): starting
06:33:38 (249948): 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
06:33:40 (249948): Library/usr/bin/tar.exe exited; CPU time 0.031250
06:33:40 (249948): 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\24\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\24\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
07:01:20 (249948): C:/Windows/system32/cmd.exe exited; CPU time 1677.796875
07:01:20 (249948): 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: 42310965 bytes.
Dumping objects ->
{3835263} normal block at 0x000001C65339E180, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835252} normal block at 0x000001C6517455D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835241} normal block at 0x000001C651745480, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835230} normal block at 0x000001C651745410, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x000001C6517453A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835188} normal block at 0x000001C6533E7EB0, 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) : {3835175} normal block at 0x000001C65173E410, 8 bytes long.
 Data: <  &#193;Q&#198;   > 00 00 C1 51 C6 01 00 00 
{3833965} normal block at 0x000001C65173D920, 8 bytes long.
 Data: < &#230; Q&#198;   > 00 E6 81 51 C6 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001C651742500, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001C651736BA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001C651746560, 16 bytes long.
 Data: <&#184;qtQ&#198;           > B8 71 74 51 C6 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001C651746510, 16 bytes long.
 Data: < qtQ&#198;           > 90 71 74 51 C6 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C65173F8F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001C651746100, 16 bytes long.
 Data: <hqtQ&#198;           > 68 71 74 51 C6 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C651746790, 16 bytes long.
 Data: <@qtQ&#198;           > 40 71 74 51 C6 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C651746010, 16 bytes long.
 Data: < qtQ&#198;           > 18 71 74 51 C6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C651746920, 16 bytes long.
 Data: <&#240;ptQ&#198;           > F0 70 74 51 C6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C651745950, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001C6517465B0, 16 bytes long.
 Data: <8&#150;sQ&#198;           > 38 96 73 51 C6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C65173FD70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001C6517464C0, 16 bytes long.
 Data: < &#150;sQ&#198;           > 10 96 73 51 C6 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C651746880, 16 bytes long.
 Data: <&#232;&#149;sQ&#198;           > E8 95 73 51 C6 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C6517468D0, 16 bytes long.
 Data: <&#192;&#149;sQ&#198;           > C0 95 73 51 C6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C6517462E0, 16 bytes long.
 Data: < &#149;sQ&#198;           > 98 95 73 51 C6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C651746380, 16 bytes long.
 Data: <p&#149;sQ&#198;           > 70 95 73 51 C6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C651746C90, 16 bytes long.
 Data: <H&#149;sQ&#198;           > 48 95 73 51 C6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C651740730, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001C651745FC0, 16 bytes long.
 Data: < &#149;sQ&#198;           > 20 95 73 51 C6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C651739520, 320 bytes long.
 Data: <&#192;_tQ&#198;   0 tQ&#198;   > C0 5F 74 51 C6 01 00 00 30 07 74 51 C6 01 00 00 
{278} normal block at 0x000001C651746BF0, 16 bytes long.
 Data: <&#208;ptQ&#198;           > D0 70 74 51 C6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C6517463D0, 16 bytes long.
 Data: <&#168;ptQ&#198;           > A8 70 74 51 C6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C651740610, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001C651746240, 16 bytes long.
 Data: < ptQ&#198;           > 80 70 74 51 C6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C65173FCB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001C651746A10, 16 bytes long.
 Data: <&#200;otQ&#198;           > C8 6F 74 51 C6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C6517466F0, 16 bytes long.
 Data: <&#160;otQ&#198;           > A0 6F 74 51 C6 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C6517460B0, 16 bytes long.
 Data: <xotQ&#198;           > 78 6F 74 51 C6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C651746290, 16 bytes long.
 Data: <PotQ&#198;           > 50 6F 74 51 C6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C651746AB0, 16 bytes long.
 Data: <(otQ&#198;           > 28 6F 74 51 C6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C651745ED0, 16 bytes long.
 Data: < otQ&#198;           > 00 6F 74 51 C6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C6517461F0, 16 bytes long.
 Data: <&#192;RtQ&#198;           > C0 52 74 51 C6 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C6517452C0, 40 bytes long.
 Data: <&#240;atQ&#198;   &#176;~>S&#198;   > F0 61 74 51 C6 01 00 00 B0 7E 3E 53 C6 01 00 00 
{264} normal block at 0x000001C651746B00, 16 bytes long.
 Data: <&#224;ntQ&#198;           > E0 6E 74 51 C6 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C651746420, 16 bytes long.
 Data: <&#184;ntQ&#198;           > B8 6E 74 51 C6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C6517401F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001C6517467E0, 16 bytes long.
 Data: < ntQ&#198;           > 90 6E 74 51 C6 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C651746E90, 992 bytes long.
 Data: <&#224;gtQ&#198;   &#240; tQ&#198;   > E0 67 74 51 C6 01 00 00 F0 01 74 51 C6 01 00 00 
{96} normal block at 0x000001C651740490, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001C65173DE70, 16 bytes long.
 Data: < &#247;rQ&#198;           > 90 F7 72 51 C6 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001C65172F790, 40 bytes long.
 Data: <p&#222;sQ&#198;     tQ&#198;   > 70 DE 73 51 C6 01 00 00 90 04 74 51 C6 01 00 00 
{73} normal block at 0x000001C65173E0F0, 16 bytes long.
 Data: < &#234;~&#192;&#247;           > 80 EA 7E C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001C65173DC40, 16 bytes long.
 Data: <@&#233;~&#192;&#247;           > 40 E9 7E C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001C65173DA60, 16 bytes long.
 Data: <&#248;W{&#192;&#247;           > F8 57 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001C65173D790, 16 bytes long.
 Data: <&#216;W{&#192;&#247;           > D8 57 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C65173DE20, 16 bytes long.
 Data: <P {&#192;&#247;           > 50 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C65173DA10, 16 bytes long.
 Data: <0 {&#192;&#247;           > 30 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C65173E230, 16 bytes long.
 Data: <&#224; {&#192;&#247;           > E0 02 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C65173DDD0, 16 bytes long.
 Data: <  {&#192;&#247;           > 10 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C65173DCE0, 16 bytes long.
 Data: <p {&#192;&#247;           > 70 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C65173E000, 16 bytes long.
 Data: < &#192;y&#192;&#247;           > 18 C0 79 C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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