Task 38667137

Name test_591-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND0893_2
Workunit 31609770
Created 25 Oct 2026, 6:32:21 UTC
Sent 25 Oct 2026, 6:32:45 UTC
Report deadline 30 Oct 2026, 6:32:45 UTC
Received 25 Oct 2026, 7:02:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641350
Run time 29 min 10 sec
CPU time 27 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,410.98 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.39 MB
Peak swap size 5.38 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:34:02 (7764): wrapper (7.9.26016): starting
07:34:02 (7764): 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
07:34:03 (7764): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:34:03 (7764): 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
08:02:04 (7764): C:/Windows/system32/cmd.exe exited; CPU time 1664.171875
08:02:04 (7764): 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: 25426943 bytes.
Dumping objects ->
{3835240} normal block at 0x00000255F1E65990, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x00000255F1E658B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x00000255F1E65840, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x00000255F1E657D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x00000255F1E65610, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x00000255F3BE9310, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x00000255F3C00BF0, 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) : {3835151} normal block at 0x00000255F1E5FB80, 8 bytes long.
 Data: <  6&#242;U   > 00 00 36 F2 55 02 00 00 
{3834545} normal block at 0x00000255F3C01590, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000255F1E5F6D0, 8 bytes long.
 Data: < &#212;&#243;&#241;U   > 20 D4 F3 F1 55 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000255F1E61A90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000255F1E567C0, 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 0x00000255F1E66A80, 16 bytes long.
 Data: <hn&#230;&#241;U           > 68 6E E6 F1 55 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000255F1E663F0, 16 bytes long.
 Data: <@n&#230;&#241;U           > 40 6E E6 F1 55 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000255F1E5E040, 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 0x00000255F1E65F90, 16 bytes long.
 Data: < n&#230;&#241;U           > 18 6E E6 F1 55 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000255F1E66120, 16 bytes long.
 Data: <&#240;m&#230;&#241;U           > F0 6D E6 F1 55 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000255F1E66620, 16 bytes long.
 Data: <&#200;m&#230;&#241;U           > C8 6D E6 F1 55 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000255F1E65D10, 16 bytes long.
 Data: <&#160;m&#230;&#241;U           > A0 6D E6 F1 55 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000255F1E65A70, 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 0x00000255F1E665D0, 16 bytes long.
 Data: <&#232;&#242;&#229;&#241;U           > E8 F2 E5 F1 55 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000255F1E5DEC0, 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 0x00000255F1E66580, 16 bytes long.
 Data: <&#192;&#242;&#229;&#241;U           > C0 F2 E5 F1 55 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000255F1E65F40, 16 bytes long.
 Data: < &#242;&#229;&#241;U           > 98 F2 E5 F1 55 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000255F1E65EF0, 16 bytes long.
 Data: <p&#242;&#229;&#241;U           > 70 F2 E5 F1 55 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000255F1E65C70, 16 bytes long.
 Data: <H&#242;&#229;&#241;U           > 48 F2 E5 F1 55 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000255F1E663A0, 16 bytes long.
 Data: < &#242;&#229;&#241;U           > 20 F2 E5 F1 55 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000255F1E66490, 16 bytes long.
 Data: <&#248;&#241;&#229;&#241;U           > F8 F1 E5 F1 55 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000255F1E5D5C0, 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 0x00000255F1E660D0, 16 bytes long.
 Data: <&#208;&#241;&#229;&#241;U           > D0 F1 E5 F1 55 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000255F1E5F1D0, 320 bytes long.
 Data: <&#208;`&#230;&#241;U   &#192;&#213;&#229;&#241;U   > D0 60 E6 F1 55 02 00 00 C0 D5 E5 F1 55 02 00 00 
{276} normal block at 0x00000255F1E667B0, 16 bytes long.
 Data: < m&#230;&#241;U           > 80 6D E6 F1 55 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000255F1E65EA0, 16 bytes long.
 Data: <Xm&#230;&#241;U           > 58 6D E6 F1 55 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000255F1E5DE00, 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 0x00000255F1E65C20, 16 bytes long.
 Data: <0m&#230;&#241;U           > 30 6D E6 F1 55 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000255F1E5DD40, 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 0x00000255F1E66440, 16 bytes long.
 Data: <xl&#230;&#241;U           > 78 6C E6 F1 55 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000255F1E65BD0, 16 bytes long.
 Data: <Pl&#230;&#241;U           > 50 6C E6 F1 55 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000255F1E66080, 16 bytes long.
 Data: <(l&#230;&#241;U           > 28 6C E6 F1 55 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000255F1E66710, 16 bytes long.
 Data: < l&#230;&#241;U           > 00 6C E6 F1 55 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000255F1E65E50, 16 bytes long.
 Data: <&#216;k&#230;&#241;U           > D8 6B E6 F1 55 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000255F1E66760, 16 bytes long.
 Data: <&#176;k&#230;&#241;U           > B0 6B E6 F1 55 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000255F1E666C0, 16 bytes long.
 Data: <&#240;V&#230;&#241;U           > F0 56 E6 F1 55 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000255F1E656F0, 40 bytes long.
 Data: <&#192;f&#230;&#241;U    &#147;&#190;&#243;U   > C0 66 E6 F1 55 02 00 00 10 93 BE F3 55 02 00 00 
{262} normal block at 0x00000255F1E668A0, 16 bytes long.
 Data: < k&#230;&#241;U           > 90 6B E6 F1 55 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000255F1E668F0, 16 bytes long.
 Data: <hk&#230;&#241;U           > 68 6B E6 F1 55 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000255F1E5DE60, 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 0x00000255F1E66A30, 16 bytes long.
 Data: <@k&#230;&#241;U           > 40 6B E6 F1 55 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000255F1E66B40, 992 bytes long.
 Data: <0j&#230;&#241;U   `&#222;&#229;&#241;U   > 30 6A E6 F1 55 02 00 00 60 DE E5 F1 55 02 00 00 
{94} normal block at 0x00000255F1E5E160, 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 0x00000255F1E60300, 16 bytes long.
 Data: <`&#249;&#228;&#241;U           > 60 F9 E4 F1 55 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000255F1E4F960, 40 bytes long.
 Data: <  &#230;&#241;U   `&#225;&#229;&#241;U   > 00 03 E6 F1 55 02 00 00 60 E1 E5 F1 55 02 00 00 
{71} normal block at 0x00000255F1E60210, 16 bytes long.
 Data: < &#234;7G&#246;           > 80 EA 37 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000255F1E60120, 16 bytes long.
 Data: <@&#233;7G&#246;           > 40 E9 37 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000255F1E602B0, 16 bytes long.
 Data: <&#248;W4G&#246;           > F8 57 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000255F1E5FB30, 16 bytes long.
 Data: <&#216;W4G&#246;           > D8 57 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000255F1E60030, 16 bytes long.
 Data: <P 4G&#246;           > 50 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000255F1E5FA90, 16 bytes long.
 Data: <0 4G&#246;           > 30 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000255F1E5FC20, 16 bytes long.
 Data: <&#224; 4G&#246;           > E0 02 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000255F1E5F860, 16 bytes long.
 Data: <  4G&#246;           > 10 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000255F1E5FC70, 16 bytes long.
 Data: <p 4G&#246;           > 70 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000255F1E5FBD0, 16 bytes long.
 Data: < &#192;2G&#246;           > 18 C0 32 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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