Task 38662653

Name test_320-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND1714_1
Workunit 31605758
Created 24 Oct 2026, 20:06:05 UTC
Sent 24 Oct 2026, 20:06:10 UTC
Report deadline 29 Oct 2026, 20:06:10 UTC
Received 24 Oct 2026, 21:17:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651346
Run time 19 min 24 sec
CPU time 19 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.60 MB
Peak swap size 12.95 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:52:16 (2140): wrapper (7.9.26016): starting
15:52:16 (2140): 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
15:52:17 (2140): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:52:17 (2140): 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
16:12:49 (2140): C:/Windows/system32/cmd.exe exited; CPU time 1164.062500
16:12:49 (2140): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 15289075 bytes.
Dumping objects ->
{3835567} normal block at 0x000001F1F0DF1C40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835556} normal block at 0x000001F1F0DF18C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835545} normal block at 0x000001F1F0DF1D90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835534} normal block at 0x000001F1F0DF1B60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835523} normal block at 0x000001F1F0DF1BD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835492} normal block at 0x000001F1F0EE6E40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x000001F1F0EDECF0, 235 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) : {3835478} normal block at 0x000001F1EF16E3C0, 8 bytes long.
 Data: <  ~&#239;&#241;   > 00 00 7E EF F1 01 00 00 
{3834701} normal block at 0x000001F1F0EDEE20, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x000001F1EF16E280, 8 bytes long.
 Data: < 6 &#239;&#241;   > 20 36 17 EF F1 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001F1EF16F800, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F1EF165770, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000001F1EF174C20, 16 bytes long.
 Data: < R &#239;&#241;           > 88 52 17 EF F1 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F1EF174EA0, 16 bytes long.
 Data: <`R &#239;&#241;           > 60 52 17 EF F1 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F1EF16F570, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000001F1EF1742C0, 16 bytes long.
 Data: <8R &#239;&#241;           > 38 52 17 EF F1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F1EF174A40, 16 bytes long.
 Data: < R &#239;&#241;           > 10 52 17 EF F1 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F1EF174DB0, 16 bytes long.
 Data: <&#232;Q &#239;&#241;           > E8 51 17 EF F1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F1EF174590, 16 bytes long.
 Data: <&#192;Q &#239;&#241;           > C0 51 17 EF F1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F1EF15D170, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000001F1EF174540, 16 bytes long.
 Data: < &#241; &#239;&#241;           > 18 F1 15 EF F1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F1EF16EC70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000001F1EF174E50, 16 bytes long.
 Data: <&#240;&#240; &#239;&#241;           > F0 F0 15 EF F1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F1EF174130, 16 bytes long.
 Data: <&#200;&#240; &#239;&#241;           > C8 F0 15 EF F1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F1EF174450, 16 bytes long.
 Data: <&#160;&#240; &#239;&#241;           > A0 F0 15 EF F1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F1EF1740E0, 16 bytes long.
 Data: <x&#240; &#239;&#241;           > 78 F0 15 EF F1 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F1EF1744F0, 16 bytes long.
 Data: <P&#240; &#239;&#241;           > 50 F0 15 EF F1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F1EF1745E0, 16 bytes long.
 Data: <(&#240; &#239;&#241;           > 28 F0 15 EF F1 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F1EF16EF70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000001F1EF174900, 16 bytes long.
 Data: < &#240; &#239;&#241;           > 00 F0 15 EF F1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F1EF15F000, 320 bytes long.
 Data: < I &#239;&#241;   p&#239; &#239;&#241;   > 00 49 17 EF F1 01 00 00 70 EF 16 EF F1 01 00 00 
{272} normal block at 0x000001F1EF174400, 16 bytes long.
 Data: <&#160;Q &#239;&#241;           > A0 51 17 EF F1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F1EF174AE0, 16 bytes long.
 Data: <xQ &#239;&#241;           > 78 51 17 EF F1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F1EF16EE50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000001F1EF1747C0, 16 bytes long.
 Data: <PQ &#239;&#241;           > 50 51 17 EF F1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F1EF16EEB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000001F1EF174270, 16 bytes long.
 Data: < P &#239;&#241;           > 98 50 17 EF F1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F1EF174B30, 16 bytes long.
 Data: <pP &#239;&#241;           > 70 50 17 EF F1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F1EF174310, 16 bytes long.
 Data: <HP &#239;&#241;           > 48 50 17 EF F1 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F1EF1743B0, 16 bytes long.
 Data: < P &#239;&#241;           > 20 50 17 EF F1 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F1EF174BD0, 16 bytes long.
 Data: <&#248;O &#239;&#241;           > F8 4F 17 EF F1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F1EF174B80, 16 bytes long.
 Data: <&#208;O &#239;&#241;           > D0 4F 17 EF F1 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F1EF174C70, 16 bytes long.
 Data: <@&#191; &#239;&#241;           > 40 BF 15 EF F1 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F1EF15BF40, 40 bytes long.
 Data: <pL &#239;&#241;   @n&#238;&#240;&#241;   > 70 4C 17 EF F1 01 00 00 40 6E EE F0 F1 01 00 00 
{258} normal block at 0x000001F1EF174950, 16 bytes long.
 Data: <&#176;O &#239;&#241;           > B0 4F 17 EF F1 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001F1EF1749F0, 16 bytes long.
 Data: < O &#239;&#241;           > 88 4F 17 EF F1 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F1EF16ED30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000001F1EF174360, 16 bytes long.
 Data: <`O &#239;&#241;           > 60 4F 17 EF F1 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001F1EF174F60, 992 bytes long.
 Data: <`C &#239;&#241;   0&#237; &#239;&#241;   > 60 43 17 EF F1 01 00 00 30 ED 16 EF F1 01 00 00 
{90} normal block at 0x000001F1EF16EB50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000001F1EF16E1E0, 16 bytes long.
 Data: < &#237; &#239;&#241;           > 10 ED 15 EF F1 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001F1EF15ED10, 40 bytes long.
 Data: <&#224;&#225; &#239;&#241;   P&#235; &#239;&#241;   > E0 E1 16 EF F1 01 00 00 50 EB 16 EF F1 01 00 00 
{67} normal block at 0x000001F1EF16E4B0, 16 bytes long.
 Data: < &#234;1&#173;&#246;           > 80 EA 31 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F1EF16E0F0, 16 bytes long.
 Data: <@&#233;1&#173;&#246;           > 40 E9 31 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F1EF16DBF0, 16 bytes long.
 Data: <&#248;W.&#173;&#246;           > F8 57 2E AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F1EF16DA60, 16 bytes long.
 Data: <&#216;W.&#173;&#246;           > D8 57 2E AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F1EF16E140, 16 bytes long.
 Data: <P .&#173;&#246;           > 50 04 2E AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F1EF16E0A0, 16 bytes long.
 Data: <0 .&#173;&#246;           > 30 04 2E AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F1EF16DC40, 16 bytes long.
 Data: <&#224; .&#173;&#246;           > E0 02 2E AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F1EF16DE70, 16 bytes long.
 Data: <  .&#173;&#246;           > 10 04 2E AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001F1EF16D830, 16 bytes long.
 Data: <p .&#173;&#246;           > 70 04 2E AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001F1EF16DFB0, 16 bytes long.
 Data: < &#192;,&#173;&#246;           > 18 C0 2C AD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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