Task 38672403

Name test_64-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND2835_0
Workunit 31614548
Created 25 Oct 2026, 23:19:42 UTC
Sent 25 Oct 2026, 23:19:48 UTC
Report deadline 30 Oct 2026, 23:19:48 UTC
Received 26 Oct 2026, 2:15:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654663
Run time 47 min 57 sec
CPU time 42 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.46 MB
Peak swap size 8.62 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:29:12 (9564): wrapper (7.9.26016): starting
02:29:12 (9564): 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
02:29:13 (9564): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:29:13 (9564): 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
03:15:29 (9564): C:/Windows/system32/cmd.exe exited; CPU time 2571.687500
03:15:29 (9564): 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: 61702691 bytes.
Dumping objects ->
{3835219} normal block at 0x000001EB4947BE20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x000001EB4947B8E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x000001EB4947B870, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x000001EB4947BDB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000001EB477D62D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x000001EB49465680, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x000001EB4947FBF0, 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) : {3835130} normal block at 0x000001EB477CF3F0, 8 bytes long.
 Data: <  uG&#235;   > 00 00 75 47 EB 01 00 00 
{3834536} normal block at 0x000001EB49480430, 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 0x000001EB477CE9F0, 8 bytes long.
 Data: <&#192;&#244;GI&#235;   > C0 F4 47 49 EB 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001EB477D2A20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001EB477C72B0, 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 0x000001EB477D69A0, 16 bytes long.
 Data: < {}G&#235;           > 98 7B 7D 47 EB 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001EB477D7490, 16 bytes long.
 Data: <p{}G&#235;           > 70 7B 7D 47 EB 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001EB477D0CD0, 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 0x000001EB477D7440, 16 bytes long.
 Data: <H{}G&#235;           > 48 7B 7D 47 EB 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EB477D7210, 16 bytes long.
 Data: < {}G&#235;           > 20 7B 7D 47 EB 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EB477D71C0, 16 bytes long.
 Data: <&#248;z}G&#235;           > F8 7A 7D 47 EB 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EB477D73F0, 16 bytes long.
 Data: <&#208;z}G&#235;           > D0 7A 7D 47 EB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EB477D6110, 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 0x000001EB477D7800, 16 bytes long.
 Data: <H&#233;{G&#235;           > 48 E9 7B 47 EB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EB477D0DF0, 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 0x000001EB477D6C20, 16 bytes long.
 Data: < &#233;{G&#235;           > 20 E9 7B 47 EB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EB477D73A0, 16 bytes long.
 Data: <&#248;&#232;{G&#235;           > F8 E8 7B 47 EB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EB477D7170, 16 bytes long.
 Data: <&#208;&#232;{G&#235;           > D0 E8 7B 47 EB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EB477D7350, 16 bytes long.
 Data: <&#168;&#232;{G&#235;           > A8 E8 7B 47 EB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EB477D7120, 16 bytes long.
 Data: < &#232;{G&#235;           > 80 E8 7B 47 EB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EB477D7080, 16 bytes long.
 Data: <X&#232;{G&#235;           > 58 E8 7B 47 EB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EB477D0670, 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 0x000001EB477D7030, 16 bytes long.
 Data: <0&#232;{G&#235;           > 30 E8 7B 47 EB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EB477BE830, 320 bytes long.
 Data: <0p}G&#235;   p }G&#235;   > 30 70 7D 47 EB 01 00 00 70 06 7D 47 EB 01 00 00 
{276} normal block at 0x000001EB477D6EF0, 16 bytes long.
 Data: <&#176;z}G&#235;           > B0 7A 7D 47 EB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EB477D6BD0, 16 bytes long.
 Data: < z}G&#235;           > 88 7A 7D 47 EB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EB477D1510, 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 0x000001EB477D6D10, 16 bytes long.
 Data: <`z}G&#235;           > 60 7A 7D 47 EB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EB477D0C70, 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 0x000001EB477D6E50, 16 bytes long.
 Data: <&#168;y}G&#235;           > A8 79 7D 47 EB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EB477D6B80, 16 bytes long.
 Data: < y}G&#235;           > 80 79 7D 47 EB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EB477D6F40, 16 bytes long.
 Data: <Xy}G&#235;           > 58 79 7D 47 EB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EB477D75D0, 16 bytes long.
 Data: <0y}G&#235;           > 30 79 7D 47 EB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EB477D70D0, 16 bytes long.
 Data: < y}G&#235;           > 08 79 7D 47 EB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EB477D6EA0, 16 bytes long.
 Data: <&#224;x}G&#235;           > E0 78 7D 47 EB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EB477D6FE0, 16 bytes long.
 Data: <pe}G&#235;           > 70 65 7D 47 EB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EB477D6570, 40 bytes long.
 Data: <&#224;o}G&#235;    VFI&#235;   > E0 6F 7D 47 EB 01 00 00 80 56 46 49 EB 01 00 00 
{262} normal block at 0x000001EB477D6950, 16 bytes long.
 Data: <&#192;x}G&#235;           > C0 78 7D 47 EB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EB477D72B0, 16 bytes long.
 Data: < x}G&#235;           > 98 78 7D 47 EB 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001EB477D0AF0, 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 0x000001EB477D6DB0, 16 bytes long.
 Data: <px}G&#235;           > 70 78 7D 47 EB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001EB477D7870, 992 bytes long.
 Data: <&#176;m}G&#235;   &#240; }G&#235;   > B0 6D 7D 47 EB 01 00 00 F0 0A 7D 47 EB 01 00 00 
{94} normal block at 0x000001EB477D14B0, 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 0x000001EB477CEE50, 16 bytes long.
 Data: <@c}G&#235;           > 40 63 7D 47 EB 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001EB477D6340, 40 bytes long.
 Data: <P&#238;|G&#235;   &#176; }G&#235;   > 50 EE 7C 47 EB 01 00 00 B0 14 7D 47 EB 01 00 00 
{71} normal block at 0x000001EB477CEA40, 16 bytes long.
 Data: < &#234;&#232;&#246;&#247;           > 80 EA E8 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001EB477CF0D0, 16 bytes long.
 Data: <@&#233;&#232;&#246;&#247;           > 40 E9 E8 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001EB477CF080, 16 bytes long.
 Data: <&#248;W&#229;&#246;&#247;           > F8 57 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001EB477CEA90, 16 bytes long.
 Data: <&#216;W&#229;&#246;&#247;           > D8 57 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EB477CEFE0, 16 bytes long.
 Data: <P &#229;&#246;&#247;           > 50 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EB477CEC20, 16 bytes long.
 Data: <0 &#229;&#246;&#247;           > 30 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EB477CEEA0, 16 bytes long.
 Data: <&#224; &#229;&#246;&#247;           > E0 02 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EB477CE860, 16 bytes long.
 Data: <  &#229;&#246;&#247;           > 10 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EB477CF170, 16 bytes long.
 Data: <p &#229;&#246;&#247;           > 70 04 E5 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EB477CEB80, 16 bytes long.
 Data: < &#192;&#227;&#246;&#247;           > 18 C0 E3 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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