Task 38686780

Name test_965-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND8551_0
Workunit 31628193
Created 28 Oct 2026, 4:20:33 UTC
Sent 28 Oct 2026, 4:20:34 UTC
Report deadline 2 Nov 2026, 4:20:34 UTC
Received 28 Oct 2026, 4:49:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 198644
Run time 28 min 15 sec
CPU time 28 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,609.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 737.14 MB
Peak swap size 12.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
21:21:37 (10776): wrapper (7.9.26016): starting
21:21:37 (10776): 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
21:21:38 (10776): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:21:38 (10776): 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\0\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\0\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
21:49:01 (10776): C:/Windows/system32/cmd.exe exited; CPU time 1680.250000
21:49:01 (10776): 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: 18612499 bytes.
Dumping objects ->
{3835314} normal block at 0x000001D525E377E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835303} normal block at 0x000001D525E37770, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835292} normal block at 0x000001D525E37700, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835281} normal block at 0x000001D525E37690, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835270} normal block at 0x000001D525E37460, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835239} normal block at 0x000001D527AC6DC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x000001D527AE0BF0, 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) : {3835225} normal block at 0x000001D525E31810, 8 bytes long.
 Data: <   &&#213;   > 00 00 20 26 D5 01 00 00 
{3834574} normal block at 0x000001D527AE1430, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001D525E31E00, 8 bytes long.
 Data: <@&#209;&#229;%&#213;   > 40 D1 E5 25 D5 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001D525E333D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D525E29410, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001D525E37D90, 16 bytes long.
 Data: <&#248; &#227;%&#213;           > F8 8D E3 25 D5 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D525E37D40, 16 bytes long.
 Data: <&#208; &#227;%&#213;           > D0 8D E3 25 D5 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D525E32140, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001D525E38100, 16 bytes long.
 Data: <&#168; &#227;%&#213;           > A8 8D E3 25 D5 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D525E381F0, 16 bytes long.
 Data: <  &#227;%&#213;           > 80 8D E3 25 D5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D525E38240, 16 bytes long.
 Data: <X &#227;%&#213;           > 58 8D E3 25 D5 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D525E38560, 16 bytes long.
 Data: <0 &#227;%&#213;           > 30 8D E3 25 D5 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D525E37850, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001D525E37CA0, 16 bytes long.
 Data: <X &#227;%&#213;           > 58 10 E3 25 D5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D525E32200, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001D525E38970, 16 bytes long.
 Data: <0 &#227;%&#213;           > 30 10 E3 25 D5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D525E38290, 16 bytes long.
 Data: <  &#227;%&#213;           > 08 10 E3 25 D5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D525E38880, 16 bytes long.
 Data: <&#224; &#227;%&#213;           > E0 0F E3 25 D5 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D525E37CF0, 16 bytes long.
 Data: <&#184; &#227;%&#213;           > B8 0F E3 25 D5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D525E37C50, 16 bytes long.
 Data: <  &#227;%&#213;           > 90 0F E3 25 D5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D525E38920, 16 bytes long.
 Data: <h &#227;%&#213;           > 68 0F E3 25 D5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D525E32AA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001D525E37C00, 16 bytes long.
 Data: <@ &#227;%&#213;           > 40 0F E3 25 D5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D525E30F40, 320 bytes long.
 Data: < |&#227;%&#213;   &#160;*&#227;%&#213;   > 00 7C E3 25 D5 01 00 00 A0 2A E3 25 D5 01 00 00 
{274} normal block at 0x000001D525E388D0, 16 bytes long.
 Data: <  &#227;%&#213;           > 10 8D E3 25 D5 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D525E37BB0, 16 bytes long.
 Data: <&#232;&#140;&#227;%&#213;           > E8 8C E3 25 D5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D525E32560, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001D525E38060, 16 bytes long.
 Data: <&#192;&#140;&#227;%&#213;           > C0 8C E3 25 D5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D525E32620, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001D525E383D0, 16 bytes long.
 Data: < &#140;&#227;%&#213;           > 08 8C E3 25 D5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D525E37B10, 16 bytes long.
 Data: <&#224;&#139;&#227;%&#213;           > E0 8B E3 25 D5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D525E38830, 16 bytes long.
 Data: <&#184;&#139;&#227;%&#213;           > B8 8B E3 25 D5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D525E380B0, 16 bytes long.
 Data: < &#139;&#227;%&#213;           > 90 8B E3 25 D5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D525E38A60, 16 bytes long.
 Data: <h&#139;&#227;%&#213;           > 68 8B E3 25 D5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D525E389C0, 16 bytes long.
 Data: <@&#139;&#227;%&#213;           > 40 8B E3 25 D5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D525E38510, 16 bytes long.
 Data: <&#160;r&#227;%&#213;           > A0 72 E3 25 D5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D525E372A0, 40 bytes long.
 Data: < &#133;&#227;%&#213;   &#192;m&#172;'&#213;   > 10 85 E3 25 D5 01 00 00 C0 6D AC 27 D5 01 00 00 
{260} normal block at 0x000001D525E37B60, 16 bytes long.
 Data: < &#139;&#227;%&#213;           > 20 8B E3 25 D5 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D525E381A0, 16 bytes long.
 Data: <&#248;&#138;&#227;%&#213;           > F8 8A E3 25 D5 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D525E32320, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001D525E387E0, 16 bytes long.
 Data: <&#208;&#138;&#227;%&#213;           > D0 8A E3 25 D5 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001D525E38AD0, 992 bytes long.
 Data: <&#224;&#135;&#227;%&#213;    #&#227;%&#213;   > E0 87 E3 25 D5 01 00 00 20 23 E3 25 D5 01 00 00 
{92} normal block at 0x000001D525E32740, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001D525E31310, 16 bytes long.
 Data: <@&#194;&#225;%&#213;           > 40 C2 E1 25 D5 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001D525E1C240, 40 bytes long.
 Data: <  &#227;%&#213;   @'&#227;%&#213;   > 10 13 E3 25 D5 01 00 00 40 27 E3 25 D5 01 00 00 
{69} normal block at 0x000001D525E32030, 16 bytes long.
 Data: < &#234;T &#247;           > 80 EA 54 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D525E31220, 16 bytes long.
 Data: <@&#233;T &#247;           > 40 E9 54 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D525E31630, 16 bytes long.
 Data: <&#248;WQ &#247;           > F8 57 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D525E31770, 16 bytes long.
 Data: <&#216;WQ &#247;           > D8 57 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D525E32080, 16 bytes long.
 Data: <P Q &#247;           > 50 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D525E314F0, 16 bytes long.
 Data: <0 Q &#247;           > 30 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D525E31950, 16 bytes long.
 Data: <&#224; Q &#247;           > E0 02 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D525E316D0, 16 bytes long.
 Data: <  Q &#247;           > 10 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D525E318B0, 16 bytes long.
 Data: <p Q &#247;           > 70 04 51 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001D525E31720, 16 bytes long.
 Data: < &#192;O &#247;           > 18 C0 4F 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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