Task 38698922

Name test_437-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND2056_0
Workunit 31639384
Created 3 Nov 2026, 7:14:59 UTC
Sent 3 Nov 2026, 7:15:01 UTC
Report deadline 8 Nov 2026, 7:15:01 UTC
Received 3 Nov 2026, 8:36:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627850
Run time 41 min 53 sec
CPU time 41 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 716.77 MB
Peak swap size 16.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:35:48 (10376): wrapper (7.9.26016): starting
09:35:48 (10376): 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
09:35:51 (10376): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:35:51 (10376): 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\44\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\44\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
10:20:40 (10376): C:/Windows/system32/cmd.exe exited; CPU time 2513.734375
10:20:40 (10376): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 37645215 bytes.
Dumping objects ->
{3835245} normal block at 0x0000021302D70D10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x0000021302D712C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000021302D71410, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835212} normal block at 0x0000021302D708B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x0000021302D70AE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835170} normal block at 0x0000021303064CD0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x0000021302FB6BF0, 180 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) : {3835155} normal block at 0x0000021301266560, 8 bytes long.
 Data: <  $     > 00 00 24 01 13 02 00 00 
{3834548} normal block at 0x0000021302FB7280, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x0000021301266D80, 8 bytes long.
 Data: <&#192;&#167;)     > C0 A7 29 01 13 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000021301271210, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002130126C1D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000021301272890, 16 bytes long.
 Data: <XD'             > 58 44 27 01 13 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000213012727F0, 16 bytes long.
 Data: <0D'             > 30 44 27 01 13 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002130126D1D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000021301272700, 16 bytes long.
 Data: < D'             > 08 44 27 01 13 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000213012724D0, 16 bytes long.
 Data: <&#224;C'             > E0 43 27 01 13 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021301272D90, 16 bytes long.
 Data: <&#184;C'             > B8 43 27 01 13 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021301272C00, 16 bytes long.
 Data: <&#144;C'             > 90 43 27 01 13 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002130126B080, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000021301272250, 16 bytes long.
 Data: <h&#193;&             > 68 C1 26 01 13 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002130126C450, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000021301272A20, 16 bytes long.
 Data: <@&#193;&             > 40 C1 26 01 13 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000213012730B0, 16 bytes long.
 Data: < &#193;&             > 18 C1 26 01 13 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021301272160, 16 bytes long.
 Data: <&#240;&#192;&             > F0 C0 26 01 13 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021301273010, 16 bytes long.
 Data: <&#200;&#192;&             > C8 C0 26 01 13 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021301272430, 16 bytes long.
 Data: <&#160;&#192;&             > A0 C0 26 01 13 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021301272200, 16 bytes long.
 Data: <x&#192;&             > 78 C0 26 01 13 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002130126C630, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000021301272CF0, 16 bytes long.
 Data: <P&#192;&             > 50 C0 26 01 13 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002130126C050, 320 bytes long.
 Data: <&#240;,'     0&#198;&     > F0 2C 27 01 13 02 00 00 30 C6 26 01 13 02 00 00 
{268} normal block at 0x00000213012726B0, 16 bytes long.
 Data: <pC'             > 70 43 27 01 13 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021301272BB0, 16 bytes long.
 Data: <HC'             > 48 43 27 01 13 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002130126CBD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x00000213012727A0, 16 bytes long.
 Data: < C'             > 20 43 27 01 13 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002130126CC30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000021301272F20, 16 bytes long.
 Data: <hB'             > 68 42 27 01 13 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000213012729D0, 16 bytes long.
 Data: <@B'             > 40 42 27 01 13 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021301272840, 16 bytes long.
 Data: < B'             > 18 42 27 01 13 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021301272E80, 16 bytes long.
 Data: <&#240;A'             > F0 41 27 01 13 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021301272DE0, 16 bytes long.
 Data: <&#200;A'             > C8 41 27 01 13 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021301272660, 16 bytes long.
 Data: <&#160;A'             > A0 41 27 01 13 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021301272D40, 16 bytes long.
 Data: <&#160;&#175;&             > A0 AF 26 01 13 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002130126AFA0, 40 bytes long.
 Data: <@-'     &#208;L      > 40 2D 27 01 13 02 00 00 D0 4C 06 03 13 02 00 00 
{254} normal block at 0x0000021301272480, 16 bytes long.
 Data: <&#128;A'             > 80 41 27 01 13 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000021301272750, 16 bytes long.
 Data: <XA'             > 58 41 27 01 13 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002130126CE10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x00000213012725C0, 16 bytes long.
 Data: <0A'             > 30 41 27 01 13 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000021301274130, 992 bytes long.
 Data: <&#192;%'      &#206;&     > C0 25 27 01 13 02 00 00 10 CE 26 01 13 02 00 00 
{86} normal block at 0x000002130126C750, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000021301266FB0, 16 bytes long.
 Data: <&#176;&#178;&             > B0 B2 26 01 13 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000002130126B2B0, 40 bytes long.
 Data: <&#176;o&     P&#199;&     > B0 6F 26 01 13 02 00 00 50 C7 26 01 13 02 00 00 
{63} normal block at 0x0000021301266B00, 16 bytes long.
 Data: <&#128;&#234;  &#247;           > 80 EA 00 88 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021301266E70, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 00 88 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000213012665B0, 16 bytes long.
 Data: <&#248;W&#253;&#135;&#247;           > F8 57 FD 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021301266790, 16 bytes long.
 Data: <&#216;W&#253;&#135;&#247;           > D8 57 FD 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000213012661F0, 16 bytes long.
 Data: <P &#253;&#135;&#247;           > 50 04 FD 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000213012666F0, 16 bytes long.
 Data: <0 &#253;&#135;&#247;           > 30 04 FD 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000021301266510, 16 bytes long.
 Data: <&#224; &#253;&#135;&#247;           > E0 02 FD 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000021301266CE0, 16 bytes long.
 Data: <  &#253;&#135;&#247;           > 10 04 FD 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000021301266BF0, 16 bytes long.
 Data: <p &#253;&#135;&#247;           > 70 04 FD 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000213012663D0, 16 bytes long.
 Data: < &#192;&#251;&#135;&#247;           > 18 C0 FB 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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