Task 38667118

Name test_775-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND7476_1
Workunit 31609639
Created 25 Oct 2026, 6:26:30 UTC
Sent 25 Oct 2026, 6:26:52 UTC
Report deadline 30 Oct 2026, 6:26:52 UTC
Received 25 Oct 2026, 7:47:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638078
Run time 19 min 49 sec
CPU time 16 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 51,075.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 805.54 MB
Peak swap size 10.08 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
08:28:04 (33880): wrapper (7.9.26016): starting
08:28:04 (33880): 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
08:28:05 (33880): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:28:05 (33880): 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 'D:\ProgramData\BOINC\slots\24\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 'D:\ProgramData\BOINC\slots\24\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
08:47:13 (33880): C:/Windows/system32/cmd.exe exited; CPU time 1004.906250
08:47:13 (33880): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 26267344 bytes.
Dumping objects ->
{3835471} normal block at 0x00000225090567C0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x00000225090569F0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835449} normal block at 0x00000225071B6850, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835438} normal block at 0x00000225071B6770, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x00000225071B6690, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835396} normal block at 0x0000022508FF6990, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835385} normal block at 0x000002250900F310, 85 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) : {3835382} normal block at 0x00000225071AF060, 8 bytes long.
 Data: <    %   > 00 00 14 07 25 02 00 00 
{3834663} normal block at 0x000002250900EFF0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x00000225071AF2E0, 8 bytes long.
 Data: <&#240;^  %   > F0 5E 1B 07 25 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000225071B2D80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000225071A79D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x00000225071B7AE0, 16 bytes long.
 Data: <&#232;   %           > E8 81 1B 07 25 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000225071B72C0, 16 bytes long.
 Data: <&#192;   %           > C0 81 1B 07 25 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000225071B1690, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x00000225071B71D0, 16 bytes long.
 Data: <    %           > 98 81 1B 07 25 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000225071B7E50, 16 bytes long.
 Data: <p   %           > 70 81 1B 07 25 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000225071B7A90, 16 bytes long.
 Data: <H   %           > 48 81 1B 07 25 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000225071B7C70, 16 bytes long.
 Data: <    %           > 20 81 1B 07 25 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000225071B6930, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x00000225071B7A40, 16 bytes long.
 Data: < &#184;  %           > 18 B8 19 07 25 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000225071B1750, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x00000225071B7DB0, 16 bytes long.
 Data: <&#240;&#183;  %           > F0 B7 19 07 25 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000225071B79A0, 16 bytes long.
 Data: <&#200;&#183;  %           > C8 B7 19 07 25 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000225071B7680, 16 bytes long.
 Data: <&#160;&#183;  %           > A0 B7 19 07 25 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000225071B7590, 16 bytes long.
 Data: <x&#183;  %           > 78 B7 19 07 25 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000225071B7900, 16 bytes long.
 Data: <P&#183;  %           > 50 B7 19 07 25 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000225071B7950, 16 bytes long.
 Data: <(&#183;  %           > 28 B7 19 07 25 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000225071B1810, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x00000225071B78B0, 16 bytes long.
 Data: < &#183;  %           > 00 B7 19 07 25 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002250719B700, 320 bytes long.
 Data: <&#176;x  %       %   > B0 78 1B 07 25 02 00 00 10 18 1B 07 25 02 00 00 
{280} normal block at 0x00000225071B7860, 16 bytes long.
 Data: <    %           > 00 81 1B 07 25 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000225071B7040, 16 bytes long.
 Data: <&#216;   %           > D8 80 1B 07 25 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000225071B13F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x00000225071B7BD0, 16 bytes long.
 Data: <&#176;   %           > B0 80 1B 07 25 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000225071B1450, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x00000225071B7810, 16 bytes long.
 Data: <&#248;   %           > F8 7F 1B 07 25 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000225071B7270, 16 bytes long.
 Data: <&#208;   %           > D0 7F 1B 07 25 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000225071B7CC0, 16 bytes long.
 Data: <&#168;   %           > A8 7F 1B 07 25 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000225071B6F50, 16 bytes long.
 Data: <    %           > 80 7F 1B 07 25 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000225071B74F0, 16 bytes long.
 Data: <X   %           > 58 7F 1B 07 25 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000225071B74A0, 16 bytes long.
 Data: <0   %           > 30 7F 1B 07 25 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000225071B77C0, 16 bytes long.
 Data: <&#208;k  %           > D0 6B 1B 07 25 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000225071B6BD0, 40 bytes long.
 Data: <&#192;w  %    i&#255; %   > C0 77 1B 07 25 02 00 00 90 69 FF 08 25 02 00 00 
{266} normal block at 0x00000225071B7E00, 16 bytes long.
 Data: <    %           > 10 7F 1B 07 25 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000225071B7630, 16 bytes long.
 Data: <&#232;~  %           > E8 7E 1B 07 25 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000225071B0FD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x00000225071B70E0, 16 bytes long.
 Data: <&#192;~  %           > C0 7E 1B 07 25 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000225071B7EC0, 992 bytes long.
 Data: <&#224;p  %   &#208;   %   > E0 70 1B 07 25 02 00 00 D0 0F 1B 07 25 02 00 00 
{98} normal block at 0x00000225071B1390, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x00000225071AF290, 16 bytes long.
 Data: <&#192;   %           > C0 0D 1A 07 25 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000225071A0DC0, 40 bytes long.
 Data: < &#242;  %       %   > 90 F2 1A 07 25 02 00 00 90 13 1B 07 25 02 00 00 
{75} normal block at 0x00000225071AF880, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 81 1B F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000225071AF380, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 81 1B F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000225071AFF10, 16 bytes long.
 Data: <&#248;W~ &#246;           > F8 57 7E 1B F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000225071AF010, 16 bytes long.
 Data: <&#216;W~ &#246;           > D8 57 7E 1B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000225071AF420, 16 bytes long.
 Data: <P ~ &#246;           > 50 04 7E 1B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000225071AF330, 16 bytes long.
 Data: <0 ~ &#246;           > 30 04 7E 1B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000225071AF1F0, 16 bytes long.
 Data: <&#224; ~ &#246;           > E0 02 7E 1B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000225071AF600, 16 bytes long.
 Data: <  ~ &#246;           > 10 04 7E 1B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000225071AF470, 16 bytes long.
 Data: <p ~ &#246;           > 70 04 7E 1B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000225071AF100, 16 bytes long.
 Data: < &#192;| &#246;           > 18 C0 7C 1B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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