Task 38658418

Name test_14-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND9145_0
Workunit 31602003
Created 24 Oct 2026, 12:39:27 UTC
Sent 24 Oct 2026, 12:49:00 UTC
Report deadline 29 Oct 2026, 12:49:00 UTC
Received 24 Oct 2026, 13:33:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 582876
Run time 22 min 11 sec
CPU time 20 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 33,165.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 714.79 MB
Peak swap size 8.46 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
15:11:42 (25080): wrapper (7.9.26016): starting
15:11:42 (25080): 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
15:11:43 (25080): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:11:43 (25080): 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\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 'D:\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
15:32:05 (25080): C:/Windows/system32/cmd.exe exited; CPU time 1208.671875
15:32:05 (25080): 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: 19931561 bytes.
Dumping objects ->
{3835278} normal block at 0x00000224A001E4D0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000002249FF45D50, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835256} normal block at 0x000002249FF45960, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835245} normal block at 0x000002249FF458F0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x000002249FF45CE0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835203} normal block at 0x00000224A1DE9CF0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x00000224A1DFF5B0, 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) : {3835189} normal block at 0x000002249FF3E5D0, 8 bytes long.
 Data: <  F&#160;$   > 00 00 46 A0 24 02 00 00 
{3834567} normal block at 0x00000224A1DFFEA0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833962} normal block at 0x000002249FF3E580, 8 bytes long.
 Data: <pS&#231;&#161;$   > 70 53 E7 A1 24 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002249FF425C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002249FF2EBD0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002249FF46500, 16 bytes long.
 Data: < r&#244;&#159;$           > 98 72 F4 9F 24 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002249FF465A0, 16 bytes long.
 Data: <pr&#244;&#159;$           > 70 72 F4 9F 24 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002249FF3FF30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002249FF46DC0, 16 bytes long.
 Data: <Hr&#244;&#159;$           > 48 72 F4 9F 24 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002249FF46C80, 16 bytes long.
 Data: < r&#244;&#159;$           > 20 72 F4 9F 24 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002249FF463C0, 16 bytes long.
 Data: <&#248;q&#244;&#159;$           > F8 71 F4 9F 24 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002249FF46370, 16 bytes long.
 Data: <&#208;q&#244;&#159;$           > D0 71 F4 9F 24 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002249FF45E30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002249FF46910, 16 bytes long.
 Data: <H &#243;&#159;$           > 48 98 F3 9F 24 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002249FF40470, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002249FF461E0, 16 bytes long.
 Data: <  &#243;&#159;$           > 20 98 F3 9F 24 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002249FF46190, 16 bytes long.
 Data: <&#248;&#151;&#243;&#159;$           > F8 97 F3 9F 24 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002249FF46140, 16 bytes long.
 Data: <&#208;&#151;&#243;&#159;$           > D0 97 F3 9F 24 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002249FF46730, 16 bytes long.
 Data: <&#168;&#151;&#243;&#159;$           > A8 97 F3 9F 24 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002249FF46BE0, 16 bytes long.
 Data: < &#151;&#243;&#159;$           > 80 97 F3 9F 24 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002249FF464B0, 16 bytes long.
 Data: <X&#151;&#243;&#159;$           > 58 97 F3 9F 24 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002249FF403B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002249FF46640, 16 bytes long.
 Data: <0&#151;&#243;&#159;$           > 30 97 F3 9F 24 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002249FF39730, 320 bytes long.
 Data: <@f&#244;&#159;$   &#176; &#244;&#159;$   > 40 66 F4 9F 24 02 00 00 B0 03 F4 9F 24 02 00 00 
{274} normal block at 0x000002249FF46EB0, 16 bytes long.
 Data: <&#176;q&#244;&#159;$           > B0 71 F4 9F 24 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002249FF46E60, 16 bytes long.
 Data: < q&#244;&#159;$           > 88 71 F4 9F 24 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002249FF3F990, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002249FF460F0, 16 bytes long.
 Data: <`q&#244;&#159;$           > 60 71 F4 9F 24 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002249FF3FDB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002249FF460A0, 16 bytes long.
 Data: <&#168;p&#244;&#159;$           > A8 70 F4 9F 24 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002249FF46050, 16 bytes long.
 Data: < p&#244;&#159;$           > 80 70 F4 9F 24 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002249FF466E0, 16 bytes long.
 Data: <Xp&#244;&#159;$           > 58 70 F4 9F 24 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002249FF46820, 16 bytes long.
 Data: <0p&#244;&#159;$           > 30 70 F4 9F 24 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002249FF46690, 16 bytes long.
 Data: < p&#244;&#159;$           > 08 70 F4 9F 24 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002249FF46000, 16 bytes long.
 Data: <&#224;o&#244;&#159;$           > E0 6F F4 9F 24 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002249FF46E10, 16 bytes long.
 Data: < [&#244;&#159;$           > 90 5B F4 9F 24 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002249FF45B90, 40 bytes long.
 Data: < n&#244;&#159;$   &#240;&#156;&#222;&#161;$   > 10 6E F4 9F 24 02 00 00 F0 9C DE A1 24 02 00 00 
{260} normal block at 0x000002249FF465F0, 16 bytes long.
 Data: <&#192;o&#244;&#159;$           > C0 6F F4 9F 24 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002249FF46AF0, 16 bytes long.
 Data: < o&#244;&#159;$           > 98 6F F4 9F 24 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002249FF3F930, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002249FF46B90, 16 bytes long.
 Data: <po&#244;&#159;$           > 70 6F F4 9F 24 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002249FF46F70, 992 bytes long.
 Data: < k&#244;&#159;$   0&#249;&#243;&#159;$   > 90 6B F4 9F 24 02 00 00 30 F9 F3 9F 24 02 00 00 
{92} normal block at 0x000002249FF3FB70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002249FF3E530, 16 bytes long.
 Data: <0&#250;&#242;&#159;$           > 30 FA F2 9F 24 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002249FF2FA30, 40 bytes long.
 Data: <0&#229;&#243;&#159;$   p&#251;&#243;&#159;$   > 30 E5 F3 9F 24 02 00 00 70 FB F3 9F 24 02 00 00 
{69} normal block at 0x000002249FF3E3A0, 16 bytes long.
 Data: < &#234;J&#170;&#246;           > 80 EA 4A AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002249FF3E120, 16 bytes long.
 Data: <@&#233;J&#170;&#246;           > 40 E9 4A AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002249FF3E1C0, 16 bytes long.
 Data: <&#248;WG&#170;&#246;           > F8 57 47 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002249FF3DC20, 16 bytes long.
 Data: <&#216;WG&#170;&#246;           > D8 57 47 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002249FF3E4E0, 16 bytes long.
 Data: <P G&#170;&#246;           > 50 04 47 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002249FF3DBD0, 16 bytes long.
 Data: <0 G&#170;&#246;           > 30 04 47 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002249FF3DEA0, 16 bytes long.
 Data: <&#224; G&#170;&#246;           > E0 02 47 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002249FF3DB80, 16 bytes long.
 Data: <  G&#170;&#246;           > 10 04 47 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002249FF3E3F0, 16 bytes long.
 Data: <p G&#170;&#246;           > 70 04 47 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002249FF3DA40, 16 bytes long.
 Data: < &#192;E&#170;&#246;           > 18 C0 45 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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