Task 38678798

Name test_305-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND5899_0
Workunit 31620603
Created 26 Oct 2026, 18:31:14 UTC
Sent 26 Oct 2026, 18:31:19 UTC
Report deadline 31 Oct 2026, 18:31:19 UTC
Received 26 Oct 2026, 19:47:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590389
Run time 44 min 13 sec
CPU time 41 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,993.64 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 692.47 MB
Peak swap size 5.39 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
15:04:11 (11372): wrapper (7.9.26016): starting
15:04:11 (11372): 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
15:04:13 (11372): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:04:13 (11372): 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\Boinc2\slots\5\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\Boinc2\slots\5\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
15:47:13 (11372): C:/Windows/system32/cmd.exe exited; CPU time 2481.312500
15:47:13 (11372): 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: 29056413 bytes.
Dumping objects ->
{3835332} normal block at 0x000002071AED4560, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835321} normal block at 0x000002071AED44F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835310} normal block at 0x000002071AED4090, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835299} normal block at 0x000002071AED46B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835288} normal block at 0x000002071AED41E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835257} normal block at 0x000002071ADEB500, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x000002071AE4D060, 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) : {3835243} normal block at 0x0000020719236FC0, 8 bytes long.
 Data: <        > 00 00 1F 19 07 02 00 00 
{3834581} normal block at 0x000002071AE4CE50, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x0000020719236980, 8 bytes long.
 Data: <&#176;\&#237;     > B0 5C ED 1A 07 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000207192402F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002071922A710, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000020719241AB0, 16 bytes long.
 Data: <&#248;7$             > F8 37 24 19 07 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000207192419C0, 16 bytes long.
 Data: <&#208;7$             > D0 37 24 19 07 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002071923D5F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x00000207192414C0, 16 bytes long.
 Data: <&#168;7$             > A8 37 24 19 07 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020719241380, 16 bytes long.
 Data: < 7$             > 80 37 24 19 07 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000207192412E0, 16 bytes long.
 Data: <X7$             > 58 37 24 19 07 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020719241240, 16 bytes long.
 Data: <07$             > 30 37 24 19 07 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002071923B650, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000020719241100, 16 bytes long.
 Data: <(&#198;#             > 28 C6 23 19 07 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002071923D230, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000020719241A10, 16 bytes long.
 Data: < &#198;#             > 00 C6 23 19 07 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020719241CE0, 16 bytes long.
 Data: <&#216;&#197;#             > D8 C5 23 19 07 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020719241FB0, 16 bytes long.
 Data: <&#176;&#197;#             > B0 C5 23 19 07 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020719241150, 16 bytes long.
 Data: < &#197;#             > 88 C5 23 19 07 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020719241E20, 16 bytes long.
 Data: <`&#197;#             > 60 C5 23 19 07 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020719241C90, 16 bytes long.
 Data: <8&#197;#             > 38 C5 23 19 07 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002071923CB10, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{272} normal block at 0x0000020719241C40, 16 bytes long.
 Data: < &#197;#             > 10 C5 23 19 07 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002071923C510, 320 bytes long.
 Data: <@ $      &#203;#     > 40 1C 24 19 07 02 00 00 10 CB 23 19 07 02 00 00 
{270} normal block at 0x0000020719241B00, 16 bytes long.
 Data: < 7$             > 10 37 24 19 07 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020719241920, 16 bytes long.
 Data: <&#232;6$             > E8 36 24 19 07 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002071923D530, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x00000207192413D0, 16 bytes long.
 Data: <&#192;6$             > C0 36 24 19 07 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002071923D410, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000020719242000, 16 bytes long.
 Data: < 6$             > 08 36 24 19 07 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020719241BA0, 16 bytes long.
 Data: <&#224;5$             > E0 35 24 19 07 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020719241B50, 16 bytes long.
 Data: <&#184;5$             > B8 35 24 19 07 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000207192411F0, 16 bytes long.
 Data: < 5$             > 90 35 24 19 07 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020719241880, 16 bytes long.
 Data: <h5$             > 68 35 24 19 07 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020719241DD0, 16 bytes long.
 Data: <@5$             > 40 35 24 19 07 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020719242050, 16 bytes long.
 Data: <`&#185;#             > 60 B9 23 19 07 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002071923B960, 40 bytes long.
 Data: <P $      &#181;&#222;     > 50 20 24 19 07 02 00 00 00 B5 DE 1A 07 02 00 00 
{256} normal block at 0x0000020719241740, 16 bytes long.
 Data: < 5$             > 20 35 24 19 07 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020719241830, 16 bytes long.
 Data: <&#248;4$             > F8 34 24 19 07 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002071923CB70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000020719241330, 16 bytes long.
 Data: <&#208;4$             > D0 34 24 19 07 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000207192434D0, 992 bytes long.
 Data: <0 $     p&#203;#     > 30 13 24 19 07 02 00 00 70 CB 23 19 07 02 00 00 
{88} normal block at 0x000002071923D0B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000020719236610, 16 bytes long.
 Data: <&#208;&#178;#             > D0 B2 23 19 07 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002071923B2D0, 40 bytes long.
 Data: < f#     &#176;&#208;#     > 10 66 23 19 07 02 00 00 B0 D0 23 19 07 02 00 00 
{65} normal block at 0x0000020719237420, 16 bytes long.
 Data: < &#234;&#246; &#246;           > 80 EA F6 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020719236520, 16 bytes long.
 Data: <@&#233;&#246; &#246;           > 40 E9 F6 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020719237330, 16 bytes long.
 Data: <&#248;W&#243; &#246;           > F8 57 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020719236ED0, 16 bytes long.
 Data: <&#216;W&#243; &#246;           > D8 57 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020719236750, 16 bytes long.
 Data: <P &#243; &#246;           > 50 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020719236D90, 16 bytes long.
 Data: <0 &#243; &#246;           > 30 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000207192373D0, 16 bytes long.
 Data: <&#224; &#243; &#246;           > E0 02 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020719237150, 16 bytes long.
 Data: <  &#243; &#246;           > 10 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020719237240, 16 bytes long.
 Data: <p &#243; &#246;           > 70 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000020719236CF0, 16 bytes long.
 Data: < &#192;&#241; &#246;           > 18 C0 F1 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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