Task 38677599

Name test_6-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND2363_0
Workunit 31619465
Created 26 Oct 2026, 14:48:29 UTC
Sent 26 Oct 2026, 14:48:32 UTC
Report deadline 31 Oct 2026, 14:48:32 UTC
Received 26 Oct 2026, 15:38:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654879
Run time 17 min 35 sec
CPU time 16 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 84,053.55 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.73 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:20:59 (25028): wrapper (7.9.26016): starting
16:20:59 (25028): 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
16:21:00 (25028): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:21:00 (25028): 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\3\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\3\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
16:37:53 (25028): C:/Windows/system32/cmd.exe exited; CPU time 1008.312500
16:37:53 (25028): 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: 16756597 bytes.
Dumping objects ->
{3835018} normal block at 0x000002778CE1CF20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835007} normal block at 0x000002778CE1D150, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3834996} normal block at 0x000002778CE1D1C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3834985} normal block at 0x000002778CE1C6D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3834974} normal block at 0x000002778B194A90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3834943} normal block at 0x000002778CE68270, 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) : {3834930} normal block at 0x000002778B18DE40, 8 bytes long.
 Data: <  r&#139;w   > 00 00 72 8B 77 02 00 00 
{3833961} normal block at 0x000002778B18DD50, 8 bytes long.
 Data: <&#240;O&#236;&#140;w   > F0 4F EC 8C 77 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002778B190CB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002778B17F540, 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 0x000002778B195B40, 16 bytes long.
 Data: <Hg &#139;w           > 48 67 19 8B 77 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002778B196270, 16 bytes long.
 Data: < g &#139;w           > 20 67 19 8B 77 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002778B18F560, 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 0x000002778B195F50, 16 bytes long.
 Data: <&#248;f &#139;w           > F8 66 19 8B 77 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002778B195E10, 16 bytes long.
 Data: <&#208;f &#139;w           > D0 66 19 8B 77 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002778B1963B0, 16 bytes long.
 Data: <&#168;f &#139;w           > A8 66 19 8B 77 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002778B195AF0, 16 bytes long.
 Data: < f &#139;w           > 80 66 19 8B 77 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002778B1949B0, 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 0x000002778B195500, 16 bytes long.
 Data: <8&#142; &#139;w           > 38 8E 18 8B 77 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002778B18EA80, 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 0x000002778B195820, 16 bytes long.
 Data: < &#142; &#139;w           > 10 8E 18 8B 77 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002778B1956E0, 16 bytes long.
 Data: <&#232;&#141; &#139;w           > E8 8D 18 8B 77 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002778B196360, 16 bytes long.
 Data: <&#192;&#141; &#139;w           > C0 8D 18 8B 77 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002778B195FF0, 16 bytes long.
 Data: < &#141; &#139;w           > 98 8D 18 8B 77 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002778B195D20, 16 bytes long.
 Data: <p&#141; &#139;w           > 70 8D 18 8B 77 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002778B195FA0, 16 bytes long.
 Data: <H&#141; &#139;w           > 48 8D 18 8B 77 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002778B18EBA0, 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 0x000002778B195AA0, 16 bytes long.
 Data: < &#141; &#139;w           > 20 8D 18 8B 77 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002778B188D20, 320 bytes long.
 Data: <&#160;Z &#139;w   &#160;&#235; &#139;w   > A0 5A 19 8B 77 02 00 00 A0 EB 18 8B 77 02 00 00 
{276} normal block at 0x000002778B195DC0, 16 bytes long.
 Data: <`f &#139;w           > 60 66 19 8B 77 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002778B196090, 16 bytes long.
 Data: <8f &#139;w           > 38 66 19 8B 77 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002778B18EB40, 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 0x000002778B1960E0, 16 bytes long.
 Data: < f &#139;w           > 10 66 19 8B 77 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002778B18EE40, 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 0x000002778B196310, 16 bytes long.
 Data: <Xe &#139;w           > 58 65 19 8B 77 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002778B195C80, 16 bytes long.
 Data: <0e &#139;w           > 30 65 19 8B 77 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002778B1962C0, 16 bytes long.
 Data: < e &#139;w           > 08 65 19 8B 77 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002778B195CD0, 16 bytes long.
 Data: <&#224;d &#139;w           > E0 64 19 8B 77 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002778B195690, 16 bytes long.
 Data: <&#184;d &#139;w           > B8 64 19 8B 77 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002778B196040, 16 bytes long.
 Data: < d &#139;w           > 90 64 19 8B 77 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002778B195C30, 16 bytes long.
 Data: <&#224;D &#139;w           > E0 44 19 8B 77 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002778B1944E0, 40 bytes long.
 Data: <0\ &#139;w   p&#130;&#230;&#140;w   > 30 5C 19 8B 77 02 00 00 70 82 E6 8C 77 02 00 00 
{262} normal block at 0x000002778B195460, 16 bytes long.
 Data: <pd &#139;w           > 70 64 19 8B 77 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002778B1958C0, 16 bytes long.
 Data: <Hd &#139;w           > 48 64 19 8B 77 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002778B18EC00, 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 0x000002778B195D70, 16 bytes long.
 Data: < d &#139;w           > 20 64 19 8B 77 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002778B196420, 992 bytes long.
 Data: <p] &#139;w    &#236; &#139;w   > 70 5D 19 8B 77 02 00 00 00 EC 18 8B 77 02 00 00 
{94} normal block at 0x000002778B18EEA0, 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 0x000002778B18D580, 16 bytes long.
 Data: <PE &#139;w           > 50 45 19 8B 77 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002778B194550, 40 bytes long.
 Data: < &#213; &#139;w   &#160;&#238; &#139;w   > 80 D5 18 8B 77 02 00 00 A0 EE 18 8B 77 02 00 00 
{71} normal block at 0x000002778B18DDF0, 16 bytes long.
 Data: < &#234;&#159;7&#247;           > 80 EA 9F 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002778B18DA80, 16 bytes long.
 Data: <@&#233;&#159;7&#247;           > 40 E9 9F 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002778B18D530, 16 bytes long.
 Data: <&#248;W&#156;7&#247;           > F8 57 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002778B18DDA0, 16 bytes long.
 Data: <&#216;W&#156;7&#247;           > D8 57 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002778B18D7B0, 16 bytes long.
 Data: <P &#156;7&#247;           > 50 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002778B18D440, 16 bytes long.
 Data: <0 &#156;7&#247;           > 30 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002778B18DB70, 16 bytes long.
 Data: <&#224; &#156;7&#247;           > E0 02 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002778B18D1C0, 16 bytes long.
 Data: <  &#156;7&#247;           > 10 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002778B18D8F0, 16 bytes long.
 Data: <p &#156;7&#247;           > 70 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002778B18D4E0, 16 bytes long.
 Data: < &#192;&#154;7&#247;           > 18 C0 9A 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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