Task 38680936

Name test_442-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND2375_0
Workunit 31622631
Created 27 Oct 2026, 2:07:04 UTC
Sent 27 Oct 2026, 2:07:09 UTC
Report deadline 1 Nov 2026, 2:07:09 UTC
Received 27 Oct 2026, 3:02:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 523908
Run time 25 min 20 sec
CPU time 23 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,279.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.20 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
03:37:40 (18880): wrapper (7.9.26016): starting
03:37:40 (18880): 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
03:37:41 (18880): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:37:41 (18880): 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
04:02:14 (18880): C:/Windows/system32/cmd.exe exited; CPU time 1424.921875
04:02:14 (18880): 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: 19534839 bytes.
Dumping objects ->
{3835235} normal block at 0x000001E346C0CF20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x000001E346C0D2A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x000001E346C0CA50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835202} normal block at 0x000001E346C0C820, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x000001E344F14CE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835160} normal block at 0x000001E346C54000, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835149} normal block at 0x000001E346C6EF40, 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) : {3835146} normal block at 0x000001E344F0E8B0, 8 bytes long.
 Data: <  &#238;D&#227;   > 00 00 EE 44 E3 01 00 00 
{3834542} normal block at 0x000001E346C6E440, 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 0x000001E344F0F710, 8 bytes long.
 Data: <&#176;1&#203;F&#227;   > B0 31 CB 46 E3 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001E344F11140, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E344F06190, 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 0x000001E344F15D60, 16 bytes long.
 Data: < f&#241;D&#227;           > 98 66 F1 44 E3 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E344F15E00, 16 bytes long.
 Data: <pf&#241;D&#227;           > 70 66 F1 44 E3 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E344F0FED0, 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 0x000001E344F15F40, 16 bytes long.
 Data: <Hf&#241;D&#227;           > 48 66 F1 44 E3 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E344F15680, 16 bytes long.
 Data: < f&#241;D&#227;           > 20 66 F1 44 E3 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E344F162B0, 16 bytes long.
 Data: <&#248;e&#241;D&#227;           > F8 65 F1 44 E3 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E344F15810, 16 bytes long.
 Data: <&#208;e&#241;D&#227;           > D0 65 F1 44 E3 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E344F14E30, 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 0x000001E344F16030, 16 bytes long.
 Data: < &#231;&#240;D&#227;           > 88 E7 F0 44 E3 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E344F0F930, 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 0x000001E344F16170, 16 bytes long.
 Data: <`&#231;&#240;D&#227;           > 60 E7 F0 44 E3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E344F153B0, 16 bytes long.
 Data: <8&#231;&#240;D&#227;           > 38 E7 F0 44 E3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E344F15E50, 16 bytes long.
 Data: < &#231;&#240;D&#227;           > 10 E7 F0 44 E3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E344F15C20, 16 bytes long.
 Data: <&#232;&#230;&#240;D&#227;           > E8 E6 F0 44 E3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E344F15FE0, 16 bytes long.
 Data: <&#192;&#230;&#240;D&#227;           > C0 E6 F0 44 E3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E344F15B30, 16 bytes long.
 Data: < &#230;&#240;D&#227;           > 98 E6 F0 44 E3 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E344F0FCF0, 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 0x000001E344F15DB0, 16 bytes long.
 Data: <p&#230;&#240;D&#227;           > 70 E6 F0 44 E3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E344F0E670, 320 bytes long.
 Data: <&#176;]&#241;D&#227;   &#240;&#252;&#240;D&#227;   > B0 5D F1 44 E3 01 00 00 F0 FC F0 44 E3 01 00 00 
{276} normal block at 0x000001E344F15450, 16 bytes long.
 Data: <&#176;e&#241;D&#227;           > B0 65 F1 44 E3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E344F15900, 16 bytes long.
 Data: < e&#241;D&#227;           > 88 65 F1 44 E3 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E344F0F870, 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 0x000001E344F158B0, 16 bytes long.
 Data: <`e&#241;D&#227;           > 60 65 F1 44 E3 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E344F10050, 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 0x000001E344F161C0, 16 bytes long.
 Data: <&#168;d&#241;D&#227;           > A8 64 F1 44 E3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E344F16210, 16 bytes long.
 Data: < d&#241;D&#227;           > 80 64 F1 44 E3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E344F15BD0, 16 bytes long.
 Data: <Xd&#241;D&#227;           > 58 64 F1 44 E3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E344F16120, 16 bytes long.
 Data: <0d&#241;D&#227;           > 30 64 F1 44 E3 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E344F15F90, 16 bytes long.
 Data: < d&#241;D&#227;           > 08 64 F1 44 E3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E344F15B80, 16 bytes long.
 Data: <&#224;c&#241;D&#227;           > E0 63 F1 44 E3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E344F157C0, 16 bytes long.
 Data: <&#160;G&#241;D&#227;           > A0 47 F1 44 E3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E344F147A0, 40 bytes long.
 Data: <&#192;W&#241;D&#227;    @&#197;F&#227;   > C0 57 F1 44 E3 01 00 00 00 40 C5 46 E3 01 00 00 
{262} normal block at 0x000001E344F15A90, 16 bytes long.
 Data: <&#192;c&#241;D&#227;           > C0 63 F1 44 E3 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E344F15EF0, 16 bytes long.
 Data: < c&#241;D&#227;           > 98 63 F1 44 E3 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E344F0FE10, 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 0x000001E344F15A40, 16 bytes long.
 Data: <pc&#241;D&#227;           > 70 63 F1 44 E3 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E344F16370, 992 bytes long.
 Data: <@Z&#241;D&#227;    &#254;&#240;D&#227;   > 40 5A F1 44 E3 01 00 00 10 FE F0 44 E3 01 00 00 
{94} normal block at 0x000001E344F0FE70, 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 0x000001E344F0EF40, 16 bytes long.
 Data: < K&#241;D&#227;           > 90 4B F1 44 E3 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001E344F14B90, 40 bytes long.
 Data: <@&#239;&#240;D&#227;   p&#254;&#240;D&#227;   > 40 EF F0 44 E3 01 00 00 70 FE F0 44 E3 01 00 00 
{71} normal block at 0x000001E344F0EDB0, 16 bytes long.
 Data: < &#234;&#204; &#247;           > 80 EA CC 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E344F0EBD0, 16 bytes long.
 Data: <@&#233;&#204; &#247;           > 40 E9 CC 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E344F0F620, 16 bytes long.
 Data: <&#248;W&#201; &#247;           > F8 57 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E344F0EB80, 16 bytes long.
 Data: <&#216;W&#201; &#247;           > D8 57 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E344F0E860, 16 bytes long.
 Data: <P &#201; &#247;           > 50 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E344F0E9A0, 16 bytes long.
 Data: <0 &#201; &#247;           > 30 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E344F0EF90, 16 bytes long.
 Data: <&#224; &#201; &#247;           > E0 02 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E344F0F170, 16 bytes long.
 Data: <  &#201; &#247;           > 10 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E344F0F580, 16 bytes long.
 Data: <p &#201; &#247;           > 70 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E344F0F760, 16 bytes long.
 Data: < &#192;&#199; &#247;           > 18 C0 C7 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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