Task 38684519

Name test_189-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND5899_0
Workunit 31626030
Created 27 Oct 2026, 16:47:02 UTC
Sent 27 Oct 2026, 16:47:06 UTC
Report deadline 1 Nov 2026, 16:47:06 UTC
Received 27 Oct 2026, 17:56:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648197
Run time 42 min 31 sec
CPU time 39 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,587.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.21 MB
Peak swap size 5.38 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
18:13:54 (2392): wrapper (7.9.26016): starting
18:13:54 (2392): 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
18:13:55 (2392): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:13:55 (2392): 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\10\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\10\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
18:55:22 (2392): C:/Windows/system32/cmd.exe exited; CPU time 2359.218750
18:55:22 (2392): 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: 34638223 bytes.
Dumping objects ->
{3835282} normal block at 0x00000235C079CD30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835271} normal block at 0x00000235C079C710, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835260} normal block at 0x00000235BEB249F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835249} normal block at 0x00000235BEB24F30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x00000235BEB24EC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835207} normal block at 0x00000235C07EA900, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x00000235C07FE920, 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) : {3835193} normal block at 0x00000235BEB1F990, 8 bytes long.
 Data: <   &#191;5   > 00 00 12 BF 35 02 00 00 
{3834569} normal block at 0x00000235C07FE9D0, 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 0x00000235BEB1ED60, 8 bytes long.
 Data: <&#192;C &#190;5   > C0 43 B2 BE 35 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000235BEB1D940, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000235BEB16B10, 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 0x00000235BEB256F0, 16 bytes long.
 Data: <&#232;h &#190;5           > E8 68 B2 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000235BEB25BF0, 16 bytes long.
 Data: <&#192;h &#190;5           > C0 68 B2 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000235BEB1FD30, 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 0x00000235BEB25E70, 16 bytes long.
 Data: < h &#190;5           > 98 68 B2 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000235BEB25790, 16 bytes long.
 Data: <ph &#190;5           > 70 68 B2 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000235BEB25830, 16 bytes long.
 Data: <Hh &#190;5           > 48 68 B2 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000235BEB25DD0, 16 bytes long.
 Data: < h &#190;5           > 20 68 B2 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000235BEB24FA0, 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 0x00000235BEB257E0, 16 bytes long.
 Data: <&#168;&#231;&#176;&#190;5           > A8 E7 B0 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000235BEB205D0, 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 0x00000235BEB264B0, 16 bytes long.
 Data: < &#231;&#176;&#190;5           > 80 E7 B0 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000235BEB25C90, 16 bytes long.
 Data: <X&#231;&#176;&#190;5           > 58 E7 B0 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000235BEB262D0, 16 bytes long.
 Data: <0&#231;&#176;&#190;5           > 30 E7 B0 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000235BEB25BA0, 16 bytes long.
 Data: < &#231;&#176;&#190;5           > 08 E7 B0 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000235BEB256A0, 16 bytes long.
 Data: <&#224;&#230;&#176;&#190;5           > E0 E6 B0 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000235BEB25E20, 16 bytes long.
 Data: <&#184;&#230;&#176;&#190;5           > B8 E6 B0 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000235BEB20030, 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 0x00000235BEB25650, 16 bytes long.
 Data: < &#230;&#176;&#190;5           > 90 E6 B0 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000235BEB0E690, 320 bytes long.
 Data: <PV &#190;5   0  &#190;5   > 50 56 B2 BE 35 02 00 00 30 00 B2 BE 35 02 00 00 
{276} normal block at 0x00000235BEB26000, 16 bytes long.
 Data: < h &#190;5           > 00 68 B2 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000235BEB25A10, 16 bytes long.
 Data: <&#216;g &#190;5           > D8 67 B2 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000235BEB20090, 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 0x00000235BEB26460, 16 bytes long.
 Data: <&#176;g &#190;5           > B0 67 B2 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000235BEB203F0, 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 0x00000235BEB26190, 16 bytes long.
 Data: <&#248;f &#190;5           > F8 66 B2 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000235BEB26140, 16 bytes long.
 Data: <&#208;f &#190;5           > D0 66 B2 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000235BEB260F0, 16 bytes long.
 Data: <&#168;f &#190;5           > A8 66 B2 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000235BEB26410, 16 bytes long.
 Data: < f &#190;5           > 80 66 B2 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000235BEB25970, 16 bytes long.
 Data: <Xf &#190;5           > 58 66 B2 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000235BEB259C0, 16 bytes long.
 Data: <0f &#190;5           > 30 66 B2 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000235BEB26280, 16 bytes long.
 Data: <pM &#190;5           > 70 4D B2 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000235BEB24D70, 40 bytes long.
 Data: < b &#190;5    &#169;~&#192;5   > 80 62 B2 BE 35 02 00 00 00 A9 7E C0 35 02 00 00 
{262} normal block at 0x00000235BEB25600, 16 bytes long.
 Data: < f &#190;5           > 10 66 B2 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000235BEB26550, 16 bytes long.
 Data: <&#232;e &#190;5           > E8 65 B2 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000235BEB1FE50, 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 0x00000235BEB263C0, 16 bytes long.
 Data: <&#192;e &#190;5           > C0 65 B2 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000235BEB265C0, 992 bytes long.
 Data: <&#192;c &#190;5   P&#254;&#177;&#190;5   > C0 63 B2 BE 35 02 00 00 50 FE B1 BE 35 02 00 00 
{94} normal block at 0x00000235BEB202D0, 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 0x00000235BEB1F260, 16 bytes long.
 Data: <&#240;&#156;&#177;&#190;5           > F0 9C B1 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000235BEB19CF0, 40 bytes long.
 Data: <`&#242;&#177;&#190;5   &#208;  &#190;5   > 60 F2 B1 BE 35 02 00 00 D0 02 B2 BE 35 02 00 00 
{71} normal block at 0x00000235BEB1EC70, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA BD B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000235BEB1F3F0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 BD B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000235BEB1F850, 16 bytes long.
 Data: <&#248;W&#186; &#246;           > F8 57 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000235BEB1F530, 16 bytes long.
 Data: <&#216;W&#186; &#246;           > D8 57 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000235BEB1F760, 16 bytes long.
 Data: <P &#186; &#246;           > 50 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000235BEB1F940, 16 bytes long.
 Data: <0 &#186; &#246;           > 30 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000235BEB1EBD0, 16 bytes long.
 Data: <&#224; &#186; &#246;           > E0 02 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000235BEB1F350, 16 bytes long.
 Data: <  &#186; &#246;           > 10 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000235BEB1EB80, 16 bytes long.
 Data: <p &#186; &#246;           > 70 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000235BEB1EEA0, 16 bytes long.
 Data: < &#192;&#184; &#246;           > 18 C0 B8 B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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