Task 38679336

Name test_495-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND7863_0
Workunit 31621112
Created 26 Oct 2026, 20:13:09 UTC
Sent 26 Oct 2026, 20:13:16 UTC
Report deadline 31 Oct 2026, 20:13:16 UTC
Received 26 Oct 2026, 22:06:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606123
Run time 32 min 44 sec
CPU time 32 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 691.55 MB
Peak swap size 9.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:32:36 (21424): wrapper (7.9.26016): starting
23:32:36 (21424): 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
23:32:38 (21424): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:32:38 (21424): 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
00:05:27 (21424): C:/Windows/system32/cmd.exe exited; CPU time 1924.359375
00:05:27 (21424): 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: 29106145 bytes.
Dumping objects ->
{3835255} normal block at 0x000001E8D7214C20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x000001E8D7215B00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000001E8D72156A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x000001E8D7214F30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x000001E8D72159B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x000001E8D71D6AF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835169} normal block at 0x000001E8D8F8CDC0, 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) : {3835166} normal block at 0x000001E8D71E5740, 8 bytes long.
 Data: <   &#215;&#232;   > 00 00 19 D7 E8 01 00 00 
{3834558} normal block at 0x000001E8D8F8CCD0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000001E8D71E5C90, 8 bytes long.
 Data: <&#144; &#240;&#216;&#232;   > 90 0F F0 D8 E8 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001E8D71F0440, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E8D71D5010, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001E8D71F2470, 16 bytes long.
 Data: <X* &#215;&#232;           > 58 2A 1F D7 E8 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E8D71F2330, 16 bytes long.
 Data: <0* &#215;&#232;           > 30 2A 1F D7 E8 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E8D71EC840, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001E8D71F21A0, 16 bytes long.
 Data: < * &#215;&#232;           > 08 2A 1F D7 E8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E8D71F2150, 16 bytes long.
 Data: <&#224;) &#215;&#232;           > E0 29 1F D7 E8 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E8D71F1890, 16 bytes long.
 Data: <&#184;) &#215;&#232;           > B8 29 1F D7 E8 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E8D71F1F20, 16 bytes long.
 Data: <&#144;) &#215;&#232;           > 90 29 1F D7 E8 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E8D71EA480, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001E8D71F23D0, 16 bytes long.
 Data: < &#184; &#215;&#232;           > 98 B8 1E D7 E8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E8D71ECA80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001E8D71F1DE0, 16 bytes long.
 Data: <p&#184; &#215;&#232;           > 70 B8 1E D7 E8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E8D71F17A0, 16 bytes long.
 Data: <H&#184; &#215;&#232;           > 48 B8 1E D7 E8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E8D71F1750, 16 bytes long.
 Data: < &#184; &#215;&#232;           > 20 B8 1E D7 E8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E8D71F15C0, 16 bytes long.
 Data: <&#248;&#183; &#215;&#232;           > F8 B7 1E D7 E8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E8D71F1C00, 16 bytes long.
 Data: <&#208;&#183; &#215;&#232;           > D0 B7 1E D7 E8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E8D71F1BB0, 16 bytes long.
 Data: <&#168;&#183; &#215;&#232;           > A8 B7 1E D7 E8 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E8D71EBEE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001E8D71F22E0, 16 bytes long.
 Data: <&#128;&#183; &#215;&#232;           > 80 B7 1E D7 E8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E8D71EB780, 320 bytes long.
 Data: <&#224;" &#215;&#232;   &#224;&#190; &#215;&#232;   > E0 22 1F D7 E8 01 00 00 E0 BE 1E D7 E8 01 00 00 
{273} normal block at 0x000001E8D71F1B10, 16 bytes long.
 Data: <p) &#215;&#232;           > 70 29 1F D7 E8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E8D71F1ED0, 16 bytes long.
 Data: <H) &#215;&#232;           > 48 29 1F D7 E8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E8D71EBD00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001E8D71F2100, 16 bytes long.
 Data: < ) &#215;&#232;           > 20 29 1F D7 E8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E8D71EC660, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001E8D71F20B0, 16 bytes long.
 Data: <h( &#215;&#232;           > 68 28 1F D7 E8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E8D71F2010, 16 bytes long.
 Data: <@( &#215;&#232;           > 40 28 1F D7 E8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E8D71F1930, 16 bytes long.
 Data: < ( &#215;&#232;           > 18 28 1F D7 E8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E8D71F17F0, 16 bytes long.
 Data: <&#240;' &#215;&#232;           > F0 27 1F D7 E8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E8D71F2290, 16 bytes long.
 Data: <&#200;' &#215;&#232;           > C8 27 1F D7 E8 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E8D71F2420, 16 bytes long.
 Data: <&#160;' &#215;&#232;           > A0 27 1F D7 E8 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E8D71F1700, 16 bytes long.
 Data: < &#168; &#215;&#232;           > 00 A8 1E D7 E8 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E8D71EA800, 40 bytes long.
 Data: <   &#215;&#232;   &#240;j &#215;&#232;   > 00 17 1F D7 E8 01 00 00 F0 6A 1D D7 E8 01 00 00 
{259} normal block at 0x000001E8D71F1B60, 16 bytes long.
 Data: <&#128;' &#215;&#232;           > 80 27 1F D7 E8 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E8D71F1E80, 16 bytes long.
 Data: <X' &#215;&#232;           > 58 27 1F D7 E8 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001E8D71EC5A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001E8D71F2510, 16 bytes long.
 Data: <0' &#215;&#232;           > 30 27 1F D7 E8 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001E8D71F2730, 992 bytes long.
 Data: < % &#215;&#232;   &#160;&#197; &#215;&#232;   > 10 25 1F D7 E8 01 00 00 A0 C5 1E D7 E8 01 00 00 
{91} normal block at 0x000001E8D71EC0C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001E8D71E5920, 16 bytes long.
 Data: <0&#163; &#215;&#232;           > 30 A3 1E D7 E8 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001E8D71EA330, 40 bytes long.
 Data: < Y &#215;&#232;   &#192;&#192; &#215;&#232;   > 20 59 1E D7 E8 01 00 00 C0 C0 1E D7 E8 01 00 00 
{68} normal block at 0x000001E8D71E65A0, 16 bytes long.
 Data: <&#128;&#234; \&#247;           > 80 EA 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E8D71E6000, 16 bytes long.
 Data: <@&#233; \&#247;           > 40 E9 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E8D71E5B50, 16 bytes long.
 Data: <&#248;W \&#247;           > F8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E8D71E5880, 16 bytes long.
 Data: <&#216;W \&#247;           > D8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E8D71E6690, 16 bytes long.
 Data: <P  \&#247;           > 50 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E8D71E5AB0, 16 bytes long.
 Data: <0  \&#247;           > 30 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E8D71E5FB0, 16 bytes long.
 Data: <&#224;  \&#247;           > E0 02 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E8D71E5970, 16 bytes long.
 Data: <   \&#247;           > 10 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001E8D71E6280, 16 bytes long.
 Data: <p  \&#247;           > 70 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001E8D71E5B00, 16 bytes long.
 Data: < &#192; \&#247;           > 18 C0 0C 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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