Task 38686842

Name test_673-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND8883_0
Workunit 31628251
Created 28 Oct 2026, 4:39:28 UTC
Sent 28 Oct 2026, 4:39:31 UTC
Report deadline 2 Nov 2026, 4:39:31 UTC
Received 28 Oct 2026, 6:12:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590389
Run time 1 hours 3 min 52 sec
CPU time 36 min 24 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 720.37 MB
Peak swap size 5.40 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
01:09:09 (7012): wrapper (7.9.26016): starting
01:09:09 (7012): 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
01:09:12 (7012): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:09:12 (7012): 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
02:11:53 (7012): C:/Windows/system32/cmd.exe exited; CPU time 2184.562500
02:11:53 (7012): 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: 44244819 bytes.
Dumping objects ->
{3835332} normal block at 0x000002B28CDE46B0, 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 0x000002B28CDE4A30, 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 0x000002B28CDE4AA0, 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 0x000002B28CDE4410, 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 0x000002B28CDE4B10, 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 0x000002B28CCFBC30, 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 0x000002B28CD5CF50, 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 0x000002B28B0A68F0, 8 bytes long.
 Data: <   &#139;&#178;   > 00 00 04 8B B2 02 00 00 
{3834581} normal block at 0x000002B28CD5D840, 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 0x000002B28B0A6670, 8 bytes long.
 Data: <PP&#222;&#140;&#178;   > 50 50 DE 8C B2 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002B28B0B02C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002B28B09AF70, 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 0x000002B28B0B18A0, 16 bytes long.
 Data: <&#200;7 &#139;&#178;           > C8 37 0B 8B B2 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002B28B0B1850, 16 bytes long.
 Data: <&#160;7 &#139;&#178;           > A0 37 0B 8B B2 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002B28B0AD2B0, 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 0x000002B28B0B1E40, 16 bytes long.
 Data: <x7 &#139;&#178;           > 78 37 0B 8B B2 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002B28B0B15D0, 16 bytes long.
 Data: <P7 &#139;&#178;           > 50 37 0B 8B B2 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002B28B0B19E0, 16 bytes long.
 Data: <(7 &#139;&#178;           > 28 37 0B 8B B2 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002B28B0B1800, 16 bytes long.
 Data: < 7 &#139;&#178;           > 00 37 0B 8B B2 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002B28B0AB680, 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 0x000002B28B0B14E0, 16 bytes long.
 Data: <&#232;&#197; &#139;&#178;           > E8 C5 0A 8B B2 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002B28B0ACA10, 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 0x000002B28B0B1490, 16 bytes long.
 Data: <&#192;&#197; &#139;&#178;           > C0 C5 0A 8B B2 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002B28B0B1D50, 16 bytes long.
 Data: < &#197; &#139;&#178;           > 98 C5 0A 8B B2 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002B28B0B1440, 16 bytes long.
 Data: <p&#197; &#139;&#178;           > 70 C5 0A 8B B2 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002B28B0B1990, 16 bytes long.
 Data: <H&#197; &#139;&#178;           > 48 C5 0A 8B B2 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002B28B0B12B0, 16 bytes long.
 Data: < &#197; &#139;&#178;           > 20 C5 0A 8B B2 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002B28B0B1B70, 16 bytes long.
 Data: <&#248;&#196; &#139;&#178;           > F8 C4 0A 8B B2 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002B28B0ACB30, 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 0x000002B28B0B1300, 16 bytes long.
 Data: <&#208;&#196; &#139;&#178;           > D0 C4 0A 8B B2 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002B28B0AC4D0, 320 bytes long.
 Data: <   &#139;&#178;   0&#203; &#139;&#178;   > 00 13 0B 8B B2 02 00 00 30 CB 0A 8B B2 02 00 00 
{270} normal block at 0x000002B28B0B1260, 16 bytes long.
 Data: <&#224;6 &#139;&#178;           > E0 36 0B 8B B2 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002B28B0B1FD0, 16 bytes long.
 Data: <&#184;6 &#139;&#178;           > B8 36 0B 8B B2 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002B28B0ACAD0, 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 0x000002B28B0B1710, 16 bytes long.
 Data: < 6 &#139;&#178;           > 90 36 0B 8B B2 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002B28B0AD4F0, 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 0x000002B28B0B1C10, 16 bytes long.
 Data: <&#216;5 &#139;&#178;           > D8 35 0B 8B B2 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002B28B0B17B0, 16 bytes long.
 Data: <&#176;5 &#139;&#178;           > B0 35 0B 8B B2 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002B28B0B1DF0, 16 bytes long.
 Data: < 5 &#139;&#178;           > 88 35 0B 8B B2 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002B28B0B1C60, 16 bytes long.
 Data: <`5 &#139;&#178;           > 60 35 0B 8B B2 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002B28B0B1670, 16 bytes long.
 Data: <85 &#139;&#178;           > 38 35 0B 8B B2 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002B28B0B1F30, 16 bytes long.
 Data: < 5 &#139;&#178;           > 10 35 0B 8B B2 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002B28B0B1760, 16 bytes long.
 Data: <p&#179; &#139;&#178;           > 70 B3 0A 8B B2 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002B28B0AB370, 40 bytes long.
 Data: <`  &#139;&#178;   0&#188;&#207;&#140;&#178;   > 60 17 0B 8B B2 02 00 00 30 BC CF 8C B2 02 00 00 
{256} normal block at 0x000002B28B0B11C0, 16 bytes long.
 Data: <&#240;4 &#139;&#178;           > F0 34 0B 8B B2 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002B28B0B13F0, 16 bytes long.
 Data: <&#200;4 &#139;&#178;           > C8 34 0B 8B B2 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002B28B0AD3D0, 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 0x000002B28B0B1530, 16 bytes long.
 Data: <&#160;4 &#139;&#178;           > A0 34 0B 8B B2 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002B28B0B34A0, 992 bytes long.
 Data: <0  &#139;&#178;   &#208;&#211; &#139;&#178;   > 30 15 0B 8B B2 02 00 00 D0 D3 0A 8B B2 02 00 00 
{88} normal block at 0x000002B28B0AD490, 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 0x000002B28B0A65D0, 16 bytes long.
 Data: < &#182; &#139;&#178;           > 10 B6 0A 8B B2 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002B28B0AB610, 40 bytes long.
 Data: <&#208;e &#139;&#178;    &#212; &#139;&#178;   > D0 65 0A 8B B2 02 00 00 90 D4 0A 8B B2 02 00 00 
{65} normal block at 0x000002B28B0A6490, 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 0x000002B28B0A7390, 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 0x000002B28B0A73E0, 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 0x000002B28B0A6580, 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 0x000002B28B0A6990, 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 0x000002B28B0A70C0, 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 0x000002B28B0A7110, 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 0x000002B28B0A6C10, 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 0x000002B28B0A6B70, 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 0x000002B28B0A7070, 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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