Task 38687870

Name test_387-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND2858_0
Workunit 31629243
Created 28 Oct 2026, 10:17:27 UTC
Sent 28 Oct 2026, 10:17:32 UTC
Report deadline 2 Nov 2026, 10:17:32 UTC
Received 28 Oct 2026, 11:20:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653795
Run time 1 hours 1 min 15 sec
CPU time 57 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,071.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 660.46 MB
Peak swap size 3.76 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:19:15 (2140): wrapper (7.9.26016): starting
05:19:15 (2140): 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
05:19:16 (2140): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:19:16 (2140): 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\8\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\8\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
06:20:01 (2140): C:/Windows/system32/cmd.exe exited; CPU time 3469.656250
06:20:01 (2140): 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: 43764431 bytes.
Dumping objects ->
{3835176} normal block at 0x0000021206526190, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x0000021206525860, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x00000212065257F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835143} normal block at 0x0000021206525C50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835132} normal block at 0x0000021206526270, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835101} normal block at 0x0000021207FD3B40, 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) : {3835088} normal block at 0x00000212064F7160, 8 bytes long.
 Data: <  I     > 00 00 49 06 12 02 00 00 
{3833945} normal block at 0x00000212064F6F80, 8 bytes long.
 Data: < &#165;N     > 90 A5 4E 06 12 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000021206501450, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000212064E5BC0, 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 0x0000021206502B70, 16 bytes long.
 Data: <H5P             > 48 35 50 06 12 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021206502260, 16 bytes long.
 Data: < 5P             > 20 35 50 06 12 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000212064FD1B0, 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 0x0000021206502800, 16 bytes long.
 Data: <&#248;4P             > F8 34 50 06 12 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021206502760, 16 bytes long.
 Data: <&#208;4P             > D0 34 50 06 12 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000212065030C0, 16 bytes long.
 Data: <&#168;4P             > A8 34 50 06 12 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021206502940, 16 bytes long.
 Data: < 4P             > 80 34 50 06 12 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000212064FBCC0, 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 0x00000212065028F0, 16 bytes long.
 Data: <X[N             > 58 5B 4E 06 12 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000212064FD6F0, 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 0x0000021206502620, 16 bytes long.
 Data: <0[N             > 30 5B 4E 06 12 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021206503160, 16 bytes long.
 Data: < [N             > 08 5B 4E 06 12 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000212065025D0, 16 bytes long.
 Data: <&#224;ZN             > E0 5A 4E 06 12 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021206502B20, 16 bytes long.
 Data: <&#184;ZN             > B8 5A 4E 06 12 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000212065023A0, 16 bytes long.
 Data: < ZN             > 90 5A 4E 06 12 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000212065023F0, 16 bytes long.
 Data: <hZN             > 68 5A 4E 06 12 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000212064FD0F0, 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 0x0000021206502670, 16 bytes long.
 Data: <@ZN             > 40 5A 4E 06 12 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000212064E5A40, 320 bytes long.
 Data: <p&P     &#240;&#208;O     > 70 26 50 06 12 02 00 00 F0 D0 4F 06 12 02 00 00 
{268} normal block at 0x00000212065029E0, 16 bytes long.
 Data: <`4P             > 60 34 50 06 12 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021206502580, 16 bytes long.
 Data: <84P             > 38 34 50 06 12 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000212064FD690, 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 0x00000212065027B0, 16 bytes long.
 Data: < 4P             > 10 34 50 06 12 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000212064FD870, 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 0x0000021206502710, 16 bytes long.
 Data: <X3P             > 58 33 50 06 12 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021206502BC0, 16 bytes long.
 Data: <03P             > 30 33 50 06 12 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021206502A80, 16 bytes long.
 Data: < 3P             > 08 33 50 06 12 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021206502300, 16 bytes long.
 Data: <&#224;2P             > E0 32 50 06 12 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021206503070, 16 bytes long.
 Data: <&#184;2P             > B8 32 50 06 12 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021206502A30, 16 bytes long.
 Data: < 2P             > 90 32 50 06 12 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021206503020, 16 bytes long.
 Data: <P&#188;O             > 50 BC 4F 06 12 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000212064FBC50, 40 bytes long.
 Data: < 0P     @;&#253;     > 20 30 50 06 12 02 00 00 40 3B FD 07 12 02 00 00 
{254} normal block at 0x0000021206502FD0, 16 bytes long.
 Data: <p2P             > 70 32 50 06 12 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000021206502E90, 16 bytes long.
 Data: <H2P             > 48 32 50 06 12 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000212064FCB50, 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 0x00000212065024E0, 16 bytes long.
 Data: < 2P             > 20 32 50 06 12 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000021206503220, 992 bytes long.
 Data: <&#224;$P     P&#203;O     > E0 24 50 06 12 02 00 00 50 CB 4F 06 12 02 00 00 
{86} normal block at 0x00000212064FD030, 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 0x00000212064F7070, 16 bytes long.
 Data: < &#187;O             > 00 BB 4F 06 12 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x00000212064FBB00, 40 bytes long.
 Data: <ppO     0&#208;O     > 70 70 4F 06 12 02 00 00 30 D0 4F 06 12 02 00 00 
{63} normal block at 0x00000212064F78E0, 16 bytes long.
 Data: < &#234; U&#246;           > 80 EA 00 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000212064F6EE0, 16 bytes long.
 Data: <@&#233; U&#246;           > 40 E9 00 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000212064F6E40, 16 bytes long.
 Data: <&#248;W&#253;T&#246;           > F8 57 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000212064F6BC0, 16 bytes long.
 Data: <&#216;W&#253;T&#246;           > D8 57 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000212064F7200, 16 bytes long.
 Data: <P &#253;T&#246;           > 50 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000212064F7930, 16 bytes long.
 Data: <0 &#253;T&#246;           > 30 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000212064F6CB0, 16 bytes long.
 Data: <&#224; &#253;T&#246;           > E0 02 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000212064F7700, 16 bytes long.
 Data: <  &#253;T&#246;           > 10 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000212064F6DA0, 16 bytes long.
 Data: <p &#253;T&#246;           > 70 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000212064F6B20, 16 bytes long.
 Data: < &#192;&#251;T&#246;           > 18 C0 FB 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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