Task 38684378

Name test_890-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND1008_0
Workunit 31625893
Created 27 Oct 2026, 16:02:41 UTC
Sent 27 Oct 2026, 16:02:47 UTC
Report deadline 1 Nov 2026, 16:02:47 UTC
Received 27 Oct 2026, 19:19:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652006
Run time 1 hours 4 min 22 sec
CPU time 1 hours 3 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,302.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.05 MB
Peak swap size 12.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
11:14:59 (20396): wrapper (7.9.26016): starting
11:14:59 (20396): 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
11:15:01 (20396): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:15:01 (20396): 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\26\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\26\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: Exiting with failure status due to previous errors
12:18:22 (20396): C:/Windows/system32/cmd.exe exited; CPU time 3833.093750
12:18:22 (20396): 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: 54339612 bytes.
Dumping objects ->
{3835270} normal block at 0x00000200F3FB11E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x00000200F3FB15D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x00000200F3FB1560, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x00000200F3FB0990, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x00000200F3FB1330, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x00000200F405B400, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x00000200F3FB2FC0, 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) : {3835181} normal block at 0x00000200F23D6930, 8 bytes long.
 Data: <  &#227;&#243;    > 00 00 E3 F3 00 02 00 00 
{3834558} normal block at 0x00000200F3FB3240, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x00000200F23D6A70, 8 bytes long.
 Data: < G&#251;&#243;    > 20 47 FB F3 00 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000200F23E0450, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000200F23CB1B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x00000200F23E2200, 16 bytes long.
 Data: < ;>&#242;            > 88 3B 3E F2 00 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000200F23E1BC0, 16 bytes long.
 Data: <`;>&#242;            > 60 3B 3E F2 00 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000200F23DC490, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x00000200F23E1FD0, 16 bytes long.
 Data: <8;>&#242;            > 38 3B 3E F2 00 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000200F23E1710, 16 bytes long.
 Data: < ;>&#242;            > 10 3B 3E F2 00 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000200F23E1620, 16 bytes long.
 Data: <&#232;:>&#242;            > E8 3A 3E F2 00 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000200F23E2340, 16 bytes long.
 Data: <&#192;:>&#242;            > C0 3A 3E F2 00 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000200F23DAC70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x00000200F23E1E40, 16 bytes long.
 Data: <h&#195;=&#242;            > 68 C3 3D F2 00 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000200F23DCA30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x00000200F23E2110, 16 bytes long.
 Data: <@&#195;=&#242;            > 40 C3 3D F2 00 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000200F23E20C0, 16 bytes long.
 Data: < &#195;=&#242;            > 18 C3 3D F2 00 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000200F23E15D0, 16 bytes long.
 Data: <&#240;&#194;=&#242;            > F0 C2 3D F2 00 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000200F23E1580, 16 bytes long.
 Data: <&#200;&#194;=&#242;            > C8 C2 3D F2 00 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000200F23E18A0, 16 bytes long.
 Data: <&#160;&#194;=&#242;            > A0 C2 3D F2 00 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000200F23E1B70, 16 bytes long.
 Data: <x&#194;=&#242;            > 78 C2 3D F2 00 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000200F23DD030, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x00000200F23E1DF0, 16 bytes long.
 Data: <P&#194;=&#242;            > 50 C2 3D F2 00 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000200F23DC250, 320 bytes long.
 Data: <&#240; >&#242;    0&#208;=&#242;    > F0 1D 3E F2 00 02 00 00 30 D0 3D F2 00 02 00 00 
{271} normal block at 0x00000200F23E1530, 16 bytes long.
 Data: <&#160;:>&#242;            > A0 3A 3E F2 00 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000200F23E18F0, 16 bytes long.
 Data: <x:>&#242;            > 78 3A 3E F2 00 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000200F23DCF10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x00000200F23E1490, 16 bytes long.
 Data: <P:>&#242;            > 50 3A 3E F2 00 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000200F23DC6D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x00000200F23E1AD0, 16 bytes long.
 Data: < 9>&#242;            > 98 39 3E F2 00 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000200F23E14E0, 16 bytes long.
 Data: <p9>&#242;            > 70 39 3E F2 00 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000200F23E19E0, 16 bytes long.
 Data: <H9>&#242;            > 48 39 3E F2 00 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000200F23E16C0, 16 bytes long.
 Data: < 9>&#242;            > 20 39 3E F2 00 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000200F23E1C60, 16 bytes long.
 Data: <&#248;8>&#242;            > F8 38 3E F2 00 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000200F23E21B0, 16 bytes long.
 Data: <&#208;8>&#242;            > D0 38 3E F2 00 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000200F23E1F30, 16 bytes long.
 Data: <&#192;&#173;=&#242;            > C0 AD 3D F2 00 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000200F23DADC0, 40 bytes long.
 Data: <0 >&#242;     &#180; &#244;    > 30 1F 3E F2 00 02 00 00 00 B4 05 F4 00 02 00 00 
{257} normal block at 0x00000200F23E1A80, 16 bytes long.
 Data: <&#176;8>&#242;            > B0 38 3E F2 00 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000200F23E22F0, 16 bytes long.
 Data: < 8>&#242;            > 88 38 3E F2 00 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000200F23DCC70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x00000200F23E17B0, 16 bytes long.
 Data: <`8>&#242;            > 60 38 3E F2 00 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000200F23E3860, 992 bytes long.
 Data: <&#176; >&#242;    p&#204;=&#242;    > B0 17 3E F2 00 02 00 00 70 CC 3D F2 00 02 00 00 
{89} normal block at 0x00000200F23DD1B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x00000200F23D68E0, 16 bytes long.
 Data: < &#178;=&#242;            > 20 B2 3D F2 00 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000200F23DB220, 40 bytes long.
 Data: <&#224;h=&#242;    &#176;&#209;=&#242;    > E0 68 3D F2 00 02 00 00 B0 D1 3D F2 00 02 00 00 
{66} normal block at 0x00000200F23D6430, 16 bytes long.
 Data: < &#234;L7&#246;           > 80 EA 4C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000200F23D63E0, 16 bytes long.
 Data: <@&#233;L7&#246;           > 40 E9 4C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000200F23D60C0, 16 bytes long.
 Data: <&#248;WI7&#246;           > F8 57 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000200F23D6020, 16 bytes long.
 Data: <&#216;WI7&#246;           > D8 57 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000200F23D6700, 16 bytes long.
 Data: <P I7&#246;           > 50 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000200F23D5F30, 16 bytes long.
 Data: <0 I7&#246;           > 30 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000200F23D6CA0, 16 bytes long.
 Data: <&#224; I7&#246;           > E0 02 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000200F23D65C0, 16 bytes long.
 Data: <  I7&#246;           > 10 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000200F23D6B60, 16 bytes long.
 Data: <p I7&#246;           > 70 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000200F23D6570, 16 bytes long.
 Data: < &#192;G7&#246;           > 18 C0 47 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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