Task 38694499

Name test_771-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND7870_0
Workunit 31635243
Created 30 Oct 2026, 22:48:28 UTC
Sent 30 Oct 2026, 22:48:33 UTC
Report deadline 4 Nov 2026, 22:48:33 UTC
Received 2 Nov 2026, 23:05:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638645
Run time 31 min 1 sec
CPU time 29 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,924.52 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 738.58 MB
Peak swap size 12.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.20.2</core_client_version>
<![CDATA[
<stderr_txt>
23:33:53 (8388): wrapper (7.9.26016): starting
23:33:53 (8388): 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
23:33:54 (8388): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:33:54 (8388): 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
00:03:11 (8388): C:/Windows/system32/cmd.exe exited; CPU time 1754.218750
00:03:11 (8388): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 24108713 bytes.
Dumping objects ->
{3835653} normal block at 0x00000142E50E55C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835642} normal block at 0x00000142E50E54E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835631} normal block at 0x00000142E50E6200, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835620} normal block at 0x00000142E50E5780, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835609} normal block at 0x00000142E50E58D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835578} normal block at 0x00000142E6E3B400, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835567} normal block at 0x00000142E50B8C40, 200 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) : {3835564} normal block at 0x00000142E50B5940, 8 bytes long.
 Data: <   &#230;B   > 00 00 BD E6 42 01 00 00 
{3834735} normal block at 0x00000142E50B85E0, 200 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 0x00000142E50B5E90, 8 bytes long.
 Data: < ^&#237;&#230;B   > 20 5E ED E6 42 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000142E50C1220, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000142E50A5B30, 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 0x00000142E50C2850, 16 bytes long.
 Data: < 3 &#229;B           > 18 33 0C E5 42 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000142E50C2120, 16 bytes long.
 Data: <&#240;2 &#229;B           > F0 32 0C E5 42 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000142E50BC9A0, 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 0x00000142E50C2CB0, 16 bytes long.
 Data: <&#200;2 &#229;B           > C8 32 0C E5 42 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000142E50C2C10, 16 bytes long.
 Data: <&#160;2 &#229;B           > A0 32 0C E5 42 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000142E50C2C60, 16 bytes long.
 Data: <x2 &#229;B           > 78 32 0C E5 42 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000142E50C2440, 16 bytes long.
 Data: <P2 &#229;B           > 50 32 0C E5 42 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000142E50BA9B0, 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 0x00000142E50C20D0, 16 bytes long.
 Data: <&#200;Z &#229;B           > C8 5A 0A E5 42 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000142E50BCA60, 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 0x00000142E50C2620, 16 bytes long.
 Data: <&#160;Z &#229;B           > A0 5A 0A E5 42 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000142E50C2800, 16 bytes long.
 Data: <xZ &#229;B           > 78 5A 0A E5 42 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000142E50C2D00, 16 bytes long.
 Data: <PZ &#229;B           > 50 5A 0A E5 42 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000142E50C2A30, 16 bytes long.
 Data: <(Z &#229;B           > 28 5A 0A E5 42 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000142E50C2E90, 16 bytes long.
 Data: < Z &#229;B           > 00 5A 0A E5 42 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000142E50C2E40, 16 bytes long.
 Data: <&#216;Y &#229;B           > D8 59 0A E5 42 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000142E50BCE80, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{270} normal block at 0x00000142E50C25D0, 16 bytes long.
 Data: <&#176;Y &#229;B           > B0 59 0A E5 42 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000142E50A59B0, 320 bytes long.
 Data: <&#208;% &#229;B    &#206; &#229;B   > D0 25 0C E5 42 01 00 00 80 CE 0B E5 42 01 00 00 
{268} normal block at 0x00000142E50C2530, 16 bytes long.
 Data: <02 &#229;B           > 30 32 0C E5 42 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000142E50C2F30, 16 bytes long.
 Data: < 2 &#229;B           > 08 32 0C E5 42 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000142E50BCDC0, 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 0x00000142E50C2760, 16 bytes long.
 Data: <&#224;1 &#229;B           > E0 31 0C E5 42 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000142E50BD5A0, 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 0x00000142E50C2350, 16 bytes long.
 Data: <(1 &#229;B           > 28 31 0C E5 42 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000142E50C2580, 16 bytes long.
 Data: < 1 &#229;B           > 00 31 0C E5 42 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000142E50C2DA0, 16 bytes long.
 Data: <&#216;0 &#229;B           > D8 30 0C E5 42 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000142E50C2AD0, 16 bytes long.
 Data: <&#176;0 &#229;B           > B0 30 0C E5 42 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000142E50C2DF0, 16 bytes long.
 Data: < 0 &#229;B           > 88 30 0C E5 42 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000142E50C2B70, 16 bytes long.
 Data: <`0 &#229;B           > 60 30 0C E5 42 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000142E50C2080, 16 bytes long.
 Data: < &#167; &#229;B           > 10 A7 0B E5 42 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000142E50BA710, 40 bytes long.
 Data: <   &#229;B    &#180;&#227;&#230;B   > 80 20 0C E5 42 01 00 00 00 B4 E3 E6 42 01 00 00 
{254} normal block at 0x00000142E50C2D50, 16 bytes long.
 Data: <@0 &#229;B           > 40 30 0C E5 42 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000142E50C2BC0, 16 bytes long.
 Data: < 0 &#229;B           > 18 30 0C E5 42 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000142E50BCA00, 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 0x00000142E50C2300, 16 bytes long.
 Data: <&#240;/ &#229;B           > F0 2F 0C E5 42 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000142E50C2FF0, 992 bytes long.
 Data: < # &#229;B    &#202; &#229;B   > 00 23 0C E5 42 01 00 00 00 CA 0B E5 42 01 00 00 
{86} normal block at 0x00000142E50BCB80, 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 0x00000142E50B6750, 16 bytes long.
 Data: <&#160;&#173; &#229;B           > A0 AD 0B E5 42 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x00000142E50BADA0, 40 bytes long.
 Data: <Pg &#229;B    &#203; &#229;B   > 50 67 0B E5 42 01 00 00 80 CB 0B E5 42 01 00 00 
{63} normal block at 0x00000142E50B6570, 16 bytes long.
 Data: < &#234; d&#246;           > 80 EA 08 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000142E50B6520, 16 bytes long.
 Data: <@&#233; d&#246;           > 40 E9 08 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000142E50B6110, 16 bytes long.
 Data: <&#248;W d&#246;           > F8 57 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000142E50B6480, 16 bytes long.
 Data: <&#216;W d&#246;           > D8 57 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000142E50B5AD0, 16 bytes long.
 Data: <P  d&#246;           > 50 04 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000142E50B5A80, 16 bytes long.
 Data: <0  d&#246;           > 30 04 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000142E50B66B0, 16 bytes long.
 Data: <&#224;  d&#246;           > E0 02 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000142E50B5DA0, 16 bytes long.
 Data: <   d&#246;           > 10 04 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000142E50B5B20, 16 bytes long.
 Data: <p  d&#246;           > 70 04 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000142E50B6610, 16 bytes long.
 Data: < &#192; d&#246;           > 18 C0 03 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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