Task 38681780

Name test_226-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND1126_0
Workunit 31623431
Created 27 Oct 2026, 5:18:51 UTC
Sent 27 Oct 2026, 5:19:01 UTC
Report deadline 1 Nov 2026, 5:19:01 UTC
Received 27 Oct 2026, 9:37:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609617
Run time 56 min 35 sec
CPU time 56 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,564.25 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 688.58 MB
Peak swap size 9.76 GB
Peak disk usage 3.70 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:32:23 (11104): wrapper (7.9.26016): starting
10:32:23 (11104): 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
10:32:27 (11104): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:32:28 (11104): 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\20\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\20\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
11:37:55 (11104): C:/Windows/system32/cmd.exe exited; CPU time 3391.093750
11:37:55 (11104): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 30540753 bytes.
Dumping objects ->
{3835245} normal block at 0x000001B510E01020, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x000001B510E00DF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000001B510E00840, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835212} normal block at 0x000001B510E00AE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x000001B510E016B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835170} normal block at 0x000001B510EAB640, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x000001B510FC4590, 180 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) : {3835155} normal block at 0x000001B50F2E6670, 8 bytes long.
 Data: <  % &#181;   > 00 00 25 0F B5 01 00 00 
{3834548} normal block at 0x000001B510FC41D0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x000001B50F2E69E0, 8 bytes long.
 Data: <@&#234;&#224; &#181;   > 40 EA E0 10 B5 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001B50F2EFCA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B50F2D5A10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000001B50F2F0D30, 16 bytes long.
 Data: <&#232;2/ &#181;           > E8 32 2F 0F B5 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B50F2F0CE0, 16 bytes long.
 Data: <&#192;2/ &#181;           > C0 32 2F 0F B5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B50F2ECDD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000001B50F2F0C40, 16 bytes long.
 Data: < 2/ &#181;           > 98 32 2F 0F B5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B50F2F1AF0, 16 bytes long.
 Data: <p2/ &#181;           > 70 32 2F 0F B5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B50F2F1AA0, 16 bytes long.
 Data: <H2/ &#181;           > 48 32 2F 0F B5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B50F2F1410, 16 bytes long.
 Data: < 2/ &#181;           > 20 32 2F 0F B5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B50F2EAED0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000001B50F2F1460, 16 bytes long.
 Data: < &#192;. &#181;           > 98 C0 2E 0F B5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B50F2EC890, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000001B50F2F13C0, 16 bytes long.
 Data: <p&#192;. &#181;           > 70 C0 2E 0F B5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B50F2F15F0, 16 bytes long.
 Data: <H&#192;. &#181;           > 48 C0 2E 0F B5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B50F2F1A00, 16 bytes long.
 Data: < &#192;. &#181;           > 20 C0 2E 0F B5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B50F2F12D0, 16 bytes long.
 Data: <&#248;&#191;. &#181;           > F8 BF 2E 0F B5 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B50F2F0EC0, 16 bytes long.
 Data: <&#208;&#191;. &#181;           > D0 BF 2E 0F B5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B50F2F1910, 16 bytes long.
 Data: <&#168;&#191;. &#181;           > A8 BF 2E 0F B5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B50F2ED010, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000001B50F2F1370, 16 bytes long.
 Data: <&#128;&#191;. &#181;           > 80 BF 2E 0F B5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B50F2EBF80, 320 bytes long.
 Data: <p / &#181;    &#208;. &#181;   > 70 13 2F 0F B5 01 00 00 10 D0 2E 0F B5 01 00 00 
{268} normal block at 0x000001B50F2F1780, 16 bytes long.
 Data: < 2/ &#181;           > 00 32 2F 0F B5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B50F2F15A0, 16 bytes long.
 Data: <&#216;1/ &#181;           > D8 31 2F 0F B5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B50F2ECF50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000001B50F2F1690, 16 bytes long.
 Data: <&#176;1/ &#181;           > B0 31 2F 0F B5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B50F2ECA70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000001B50F2F16E0, 16 bytes long.
 Data: <&#248;0/ &#181;           > F8 30 2F 0F B5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B50F2F1550, 16 bytes long.
 Data: <&#208;0/ &#181;           > D0 30 2F 0F B5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B50F2F1960, 16 bytes long.
 Data: <&#168;0/ &#181;           > A8 30 2F 0F B5 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B50F2F11E0, 16 bytes long.
 Data: <&#128;0/ &#181;           > 80 30 2F 0F B5 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B50F2F1640, 16 bytes long.
 Data: <X0/ &#181;           > 58 30 2F 0F B5 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B50F2F1280, 16 bytes long.
 Data: <00/ &#181;           > 30 30 2F 0F B5 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001B50F2F1190, 16 bytes long.
 Data: <&#128;&#180;. &#181;           > 80 B4 2E 0F B5 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001B50F2EB480, 40 bytes long.
 Data: <&#144; / &#181;   @&#182;&#234; &#181;   > 90 11 2F 0F B5 01 00 00 40 B6 EA 10 B5 01 00 00 
{254} normal block at 0x000001B50F2F1050, 16 bytes long.
 Data: < 0/ &#181;           > 10 30 2F 0F B5 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001B50F2F1B40, 16 bytes long.
 Data: <&#232;// &#181;           > E8 2F 2F 0F B5 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001B50F2EC5F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000001B50F2F14B0, 16 bytes long.
 Data: <&#192;// &#181;           > C0 2F 2F 0F B5 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001B50F2F2FC0, 992 bytes long.
 Data: <&#176; / &#181;   &#240;&#197;. &#181;   > B0 14 2F 0F B5 01 00 00 F0 C5 2E 0F B5 01 00 00 
{86} normal block at 0x000001B50F2ECE90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000001B50F2E6DF0, 16 bytes long.
 Data: <&#192;&#178;. &#181;           > C0 B2 2E 0F B5 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001B50F2EB2C0, 40 bytes long.
 Data: <&#240;m. &#181;   &#144;&#206;. &#181;   > F0 6D 2E 0F B5 01 00 00 90 CE 2E 0F B5 01 00 00 
{63} normal block at 0x000001B50F2E6D50, 16 bytes long.
 Data: <&#128;&#234; v&#246;           > 80 EA 05 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B50F2E67B0, 16 bytes long.
 Data: <@&#233; v&#246;           > 40 E9 05 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B50F2E6C10, 16 bytes long.
 Data: <&#248;W v&#246;           > F8 57 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B50F2E6490, 16 bytes long.
 Data: <&#216;W v&#246;           > D8 57 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001B50F2E6BC0, 16 bytes long.
 Data: <P  v&#246;           > 50 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001B50F2E6F80, 16 bytes long.
 Data: <0  v&#246;           > 30 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001B50F2E6EE0, 16 bytes long.
 Data: <&#224;  v&#246;           > E0 02 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001B50F2E6580, 16 bytes long.
 Data: <   v&#246;           > 10 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001B50F2E6D00, 16 bytes long.
 Data: <p  v&#246;           > 70 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001B50F2E6260, 16 bytes long.
 Data: < &#192; v&#246;           > 18 C0 00 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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