Task 38663837

Name test_43-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND1355_0
Workunit 31607029
Created 24 Oct 2026, 22:46:36 UTC
Sent 24 Oct 2026, 22:46:45 UTC
Report deadline 29 Oct 2026, 22:46:45 UTC
Received 24 Oct 2026, 23:17:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 633950
Run time 29 min 23 sec
CPU time 26 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 48,740.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 725.56 MB
Peak swap size 11.51 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:49:02 (29500): wrapper (7.9.26016): starting
00:49:03 (29500): 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
00:49:04 (29500): Library/usr/bin/tar.exe exited; CPU time 0.031250
00:49:04 (29500): 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\1\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\1\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
01:16:55 (29500): C:/Windows/system32/cmd.exe exited; CPU time 1563.421875
01:16:55 (29500): 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: 35117713 bytes.
Dumping objects ->
{3835462} normal block at 0x000001DEB3CBCD60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835451} normal block at 0x000001DEB2044D00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835440} normal block at 0x000001DEB2044C90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835429} normal block at 0x000001DEB2044C20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835418} normal block at 0x000001DEB2044BB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835387} normal block at 0x000001DEB3D04BF0, 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) : {3835374} normal block at 0x000001DEB203F010, 8 bytes long.
 Data: <  @&#178;&#222;   > 00 00 40 B2 DE 01 00 00 
{3833961} normal block at 0x000001DEB203E9D0, 8 bytes long.
 Data: < 3&#214;&#179;&#222;   > 20 33 D6 B3 DE 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001DEB2041530, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001DEB2036530, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001DEB2046330, 16 bytes long.
 Data: < h &#178;&#222;           > 08 68 04 B2 DE 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001DEB2045CA0, 16 bytes long.
 Data: <&#224;g &#178;&#222;           > E0 67 04 B2 DE 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001DEB20407C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001DEB2045AC0, 16 bytes long.
 Data: <&#184;g &#178;&#222;           > B8 67 04 B2 DE 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001DEB2045D40, 16 bytes long.
 Data: < g &#178;&#222;           > 90 67 04 B2 DE 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001DEB2045930, 16 bytes long.
 Data: <hg &#178;&#222;           > 68 67 04 B2 DE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001DEB2045FC0, 16 bytes long.
 Data: <@g &#178;&#222;           > 40 67 04 B2 DE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001DEB2044910, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001DEB2045750, 16 bytes long.
 Data: < &#244; &#178;&#222;           > 98 F4 02 B2 DE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001DEB203FCE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001DEB20462E0, 16 bytes long.
 Data: <p&#244; &#178;&#222;           > 70 F4 02 B2 DE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001DEB2045520, 16 bytes long.
 Data: <H&#244; &#178;&#222;           > 48 F4 02 B2 DE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001DEB2045890, 16 bytes long.
 Data: < &#244; &#178;&#222;           > 20 F4 02 B2 DE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001DEB2045980, 16 bytes long.
 Data: <&#248;&#243; &#178;&#222;           > F8 F3 02 B2 DE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001DEB2045F70, 16 bytes long.
 Data: <&#208;&#243; &#178;&#222;           > D0 F3 02 B2 DE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001DEB20460B0, 16 bytes long.
 Data: <&#168;&#243; &#178;&#222;           > A8 F3 02 B2 DE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001DEB203F9E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001DEB2046060, 16 bytes long.
 Data: < &#243; &#178;&#222;           > 80 F3 02 B2 DE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001DEB202F380, 320 bytes long.
 Data: <`` &#178;&#222;   &#224;&#249; &#178;&#222;   > 60 60 04 B2 DE 01 00 00 E0 F9 03 B2 DE 01 00 00 
{276} normal block at 0x000001DEB2045F20, 16 bytes long.
 Data: < g &#178;&#222;           > 20 67 04 B2 DE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001DEB2045A70, 16 bytes long.
 Data: <&#248;f &#178;&#222;           > F8 66 04 B2 DE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001DEB20408E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001DEB2045ED0, 16 bytes long.
 Data: <&#208;f &#178;&#222;           > D0 66 04 B2 DE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DEB203FFE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001DEB2046150, 16 bytes long.
 Data: < f &#178;&#222;           > 18 66 04 B2 DE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001DEB2046240, 16 bytes long.
 Data: <&#240;e &#178;&#222;           > F0 65 04 B2 DE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001DEB2046470, 16 bytes long.
 Data: <&#200;e &#178;&#222;           > C8 65 04 B2 DE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001DEB20459D0, 16 bytes long.
 Data: <&#160;e &#178;&#222;           > A0 65 04 B2 DE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DEB20461F0, 16 bytes long.
 Data: <xe &#178;&#222;           > 78 65 04 B2 DE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001DEB2045660, 16 bytes long.
 Data: <Pe &#178;&#222;           > 50 65 04 B2 DE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001DEB20458E0, 16 bytes long.
 Data: <&#224;M &#178;&#222;           > E0 4D 04 B2 DE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001DEB2044DE0, 40 bytes long.
 Data: <&#224;X &#178;&#222;   &#240;K&#208;&#179;&#222;   > E0 58 04 B2 DE 01 00 00 F0 4B D0 B3 DE 01 00 00 
{262} normal block at 0x000001DEB2045E30, 16 bytes long.
 Data: <0e &#178;&#222;           > 30 65 04 B2 DE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001DEB2046010, 16 bytes long.
 Data: < e &#178;&#222;           > 08 65 04 B2 DE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001DEB203FC80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001DEB2045E80, 16 bytes long.
 Data: <&#224;d &#178;&#222;           > E0 64 04 B2 DE 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001DEB20464E0, 992 bytes long.
 Data: < ^ &#178;&#222;    &#252; &#178;&#222;   > 80 5E 04 B2 DE 01 00 00 80 FC 03 B2 DE 01 00 00 
{94} normal block at 0x000001DEB2040640, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001DEB203EE80, 16 bytes long.
 Data: <0&#225; &#178;&#222;           > 30 E1 02 B2 DE 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001DEB202E130, 40 bytes long.
 Data: < &#238; &#178;&#222;   @  &#178;&#222;   > 80 EE 03 B2 DE 01 00 00 40 06 04 B2 DE 01 00 00 
{71} normal block at 0x000001DEB203EF70, 16 bytes long.
 Data: < &#234;= &#246;           > 80 EA 3D 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001DEB203EBB0, 16 bytes long.
 Data: <@&#233;= &#246;           > 40 E9 3D 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001DEB203F510, 16 bytes long.
 Data: <&#248;W: &#246;           > F8 57 3A 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001DEB203F7E0, 16 bytes long.
 Data: <&#216;W: &#246;           > D8 57 3A 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001DEB203F790, 16 bytes long.
 Data: <P : &#246;           > 50 04 3A 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001DEB203EE30, 16 bytes long.
 Data: <0 : &#246;           > 30 04 3A 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001DEB203EA70, 16 bytes long.
 Data: <&#224; : &#246;           > E0 02 3A 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001DEB203F560, 16 bytes long.
 Data: <  : &#246;           > 10 04 3A 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001DEB203EAC0, 16 bytes long.
 Data: <p : &#246;           > 70 04 3A 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001DEB203EDE0, 16 bytes long.
 Data: < &#192;8 &#246;           > 18 C0 38 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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