Task 38678169

Name test_993-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND6641_1
Workunit 31619700
Created 26 Oct 2026, 16:34:26 UTC
Sent 26 Oct 2026, 16:34:36 UTC
Report deadline 31 Oct 2026, 16:34:36 UTC
Received 26 Oct 2026, 17:42:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638061
Run time 32 min 3 sec
CPU time 31 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 745.10 MB
Peak swap size 12.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:10:23 (8500): wrapper (7.9.26016): starting
12:10:23 (8500): 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
12:10:24 (8500): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:10:24 (8500): 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
12:41:44 (8500): C:/Windows/system32/cmd.exe exited; CPU time 1890.484375
12:41:44 (8500): 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: 26209605 bytes.
Dumping objects ->
{3835231} normal block at 0x0000028BAA839EA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x0000028BAA839AB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x0000028BAA839CE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835198} normal block at 0x0000028BA89048C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x0000028BA8904D20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835156} normal block at 0x0000028BAA823F40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835145} normal block at 0x0000028BAA83EC00, 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) : {3835142} normal block at 0x0000028BA88FEA50, 8 bytes long.
 Data: <  &#229;&#168;&#139;   > 00 00 E5 A8 8B 02 00 00 
{3834540} normal block at 0x0000028BAA83ECB0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000028BA88FF4F0, 8 bytes long.
 Data: <&#160;7&#139;&#170;&#139;   > A0 37 8B AA 8B 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000028BA8901100, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000028BA88F5D40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000028BA8905DC0, 16 bytes long.
 Data: < e &#168;&#139;           > 18 65 90 A8 8B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000028BA8905410, 16 bytes long.
 Data: <&#240;d &#168;&#139;           > F0 64 90 A8 8B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000028BA89001D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000028BA89053C0, 16 bytes long.
 Data: <&#200;d &#168;&#139;           > C8 64 90 A8 8B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000028BA89058C0, 16 bytes long.
 Data: <&#160;d &#168;&#139;           > A0 64 90 A8 8B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028BA8905D70, 16 bytes long.
 Data: <xd &#168;&#139;           > 78 64 90 A8 8B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000028BA89057D0, 16 bytes long.
 Data: <Pd &#168;&#139;           > 50 64 90 A8 8B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000028BA89049A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000028BA8905D20, 16 bytes long.
 Data: < &#229;&#142;&#168;&#139;           > 88 E5 8E A8 8B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000028BA88FF930, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000028BA8905230, 16 bytes long.
 Data: <`&#229;&#142;&#168;&#139;           > 60 E5 8E A8 8B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028BA8905CD0, 16 bytes long.
 Data: <8&#229;&#142;&#168;&#139;           > 38 E5 8E A8 8B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000028BA8905500, 16 bytes long.
 Data: < &#229;&#142;&#168;&#139;           > 10 E5 8E A8 8B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000028BA8905460, 16 bytes long.
 Data: <&#232;&#228;&#142;&#168;&#139;           > E8 E4 8E A8 8B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000028BA8905780, 16 bytes long.
 Data: <&#192;&#228;&#142;&#168;&#139;           > C0 E4 8E A8 8B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028BA8905C80, 16 bytes long.
 Data: < &#228;&#142;&#168;&#139;           > 98 E4 8E A8 8B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028BA88FF8D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000028BA8905B90, 16 bytes long.
 Data: <p&#228;&#142;&#168;&#139;           > 70 E4 8E A8 8B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000028BA88EE470, 320 bytes long.
 Data: < [ &#168;&#139;   &#208;&#248; &#168;&#139;   > 90 5B 90 A8 8B 02 00 00 D0 F8 8F A8 8B 02 00 00 
{275} normal block at 0x0000028BA8905AF0, 16 bytes long.
 Data: <0d &#168;&#139;           > 30 64 90 A8 8B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000028BA8905FF0, 16 bytes long.
 Data: < d &#168;&#139;           > 08 64 90 A8 8B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000028BA88FFE70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000028BA89054B0, 16 bytes long.
 Data: <&#224;c &#168;&#139;           > E0 63 90 A8 8B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000028BA88FF6F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000028BA8905910, 16 bytes long.
 Data: <(c &#168;&#139;           > 28 63 90 A8 8B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000028BA8905A50, 16 bytes long.
 Data: < c &#168;&#139;           > 00 63 90 A8 8B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000028BA8905A00, 16 bytes long.
 Data: <&#216;b &#168;&#139;           > D8 62 90 A8 8B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000028BA8905550, 16 bytes long.
 Data: <&#176;b &#168;&#139;           > B0 62 90 A8 8B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028BA8906040, 16 bytes long.
 Data: < b &#168;&#139;           > 88 62 90 A8 8B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000028BA8905870, 16 bytes long.
 Data: <`b &#168;&#139;           > 60 62 90 A8 8B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000028BA8905C30, 16 bytes long.
 Data: < G &#168;&#139;           > 00 47 90 A8 8B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000028BA8904700, 40 bytes long.
 Data: <0\ &#168;&#139;   @?&#130;&#170;&#139;   > 30 5C 90 A8 8B 02 00 00 40 3F 82 AA 8B 02 00 00 
{261} normal block at 0x0000028BA8905AA0, 16 bytes long.
 Data: <@b &#168;&#139;           > 40 62 90 A8 8B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000028BA8905370, 16 bytes long.
 Data: < b &#168;&#139;           > 18 62 90 A8 8B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000028BA88FFCF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000028BA8905BE0, 16 bytes long.
 Data: <&#240;a &#168;&#139;           > F0 61 90 A8 8B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000028BA89061F0, 992 bytes long.
 Data: <&#224;[ &#168;&#139;   &#240;&#252; &#168;&#139;   > E0 5B 90 A8 8B 02 00 00 F0 FC 8F A8 8B 02 00 00 
{93} normal block at 0x0000028BA88FFF30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000028BA88FEAF0, 16 bytes long.
 Data: < F &#168;&#139;           > 20 46 90 A8 8B 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000028BA8904620, 40 bytes long.
 Data: <&#240;&#234; &#168;&#139;   0&#255; &#168;&#139;   > F0 EA 8F A8 8B 02 00 00 30 FF 8F A8 8B 02 00 00 
{70} normal block at 0x0000028BA88FF400, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 03 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000028BA88FEE60, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 03 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000028BA88FED70, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000028BA88FEFA0, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028BA88FEF50, 16 bytes long.
 Data: <P   &#246;           > 50 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000028BA88FF450, 16 bytes long.
 Data: <0   &#246;           > 30 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000028BA88FF3B0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000028BA88FE780, 16 bytes long.
 Data: <    &#246;           > 10 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000028BA88FEC80, 16 bytes long.
 Data: <p   &#246;           > 70 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000028BA88FEE10, 16 bytes long.
 Data: < &#192;&#254; &#246;           > 18 C0 FE 11 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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