Task 38680777

Name test_399-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND4608_0
Workunit 31622477
Created 27 Oct 2026, 1:26:35 UTC
Sent 27 Oct 2026, 1:26:36 UTC
Report deadline 1 Nov 2026, 1:26:36 UTC
Received 27 Oct 2026, 2:32:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590389
Run time 49 min 56 sec
CPU time 38 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,993.64 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.77 MB
Peak swap size 5.40 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
21:43:41 (6108): wrapper (7.9.26016): starting
21:43:41 (6108): 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
21:43:43 (6108): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:43:43 (6108): 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\Boinc2\slots\4\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\Boinc2\slots\4\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
22:32:16 (6108): C:/Windows/system32/cmd.exe exited; CPU time 2339.250000
22:32:16 (6108): 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: 35575471 bytes.
Dumping objects ->
{3835332} normal block at 0x00000246F62A4090, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835321} normal block at 0x00000246F62A46B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835310} normal block at 0x00000246F62A4640, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835299} normal block at 0x00000246F62A42C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835288} normal block at 0x00000246F62A4330, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835257} normal block at 0x00000246F61BBF40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x00000246F621D3F0, 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) : {3835243} normal block at 0x00000246F45C7330, 8 bytes long.
 Data: <  Z&#244;F   > 00 00 5A F4 46 02 00 00 
{3834581} normal block at 0x00000246F621DAD0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x00000246F45C65C0, 8 bytes long.
 Data: <&#176;\*&#246;F   > B0 5C 2A F6 46 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000246F45D0200, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000246F45BAB40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x00000246F45D1A60, 16 bytes long.
 Data: < 7]&#244;F           > 08 37 5D F4 46 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000246F45D1D80, 16 bytes long.
 Data: <&#224;6]&#244;F           > E0 36 5D F4 46 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000246F45CC960, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x00000246F45D1BA0, 16 bytes long.
 Data: <&#184;6]&#244;F           > B8 36 5D F4 46 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000246F45D1A10, 16 bytes long.
 Data: < 6]&#244;F           > 90 36 5D F4 46 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000246F45D19C0, 16 bytes long.
 Data: <h6]&#244;F           > 68 36 5D F4 46 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000246F45D18D0, 16 bytes long.
 Data: <@6]&#244;F           > 40 36 5D F4 46 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000246F45CB5D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x00000246F45D1E70, 16 bytes long.
 Data: <8&#197;\&#244;F           > 38 C5 5C F4 46 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000246F45CD3E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x00000246F45D1880, 16 bytes long.
 Data: < &#197;\&#244;F           > 10 C5 5C F4 46 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000246F45D17E0, 16 bytes long.
 Data: <&#232;&#196;\&#244;F           > E8 C4 5C F4 46 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000246F45D1920, 16 bytes long.
 Data: <&#192;&#196;\&#244;F           > C0 C4 5C F4 46 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000246F45D1470, 16 bytes long.
 Data: < &#196;\&#244;F           > 98 C4 5C F4 46 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000246F45D1380, 16 bytes long.
 Data: <p&#196;\&#244;F           > 70 C4 5C F4 46 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000246F45D1330, 16 bytes long.
 Data: <H&#196;\&#244;F           > 48 C4 5C F4 46 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000246F45CCF00, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{272} normal block at 0x00000246F45D1060, 16 bytes long.
 Data: < &#196;\&#244;F           > 20 C4 5C F4 46 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000246F45CC420, 320 bytes long.
 Data: <` ]&#244;F    &#207;\&#244;F   > 60 10 5D F4 46 02 00 00 00 CF 5C F4 46 02 00 00 
{270} normal block at 0x00000246F45D1010, 16 bytes long.
 Data: < 6]&#244;F           > 20 36 5D F4 46 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000246F45D12E0, 16 bytes long.
 Data: <&#248;5]&#244;F           > F8 35 5D F4 46 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000246F45CCA80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x00000246F45D1740, 16 bytes long.
 Data: <&#208;5]&#244;F           > D0 35 5D F4 46 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000246F45CCAE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x00000246F45D16F0, 16 bytes long.
 Data: < 5]&#244;F           > 18 35 5D F4 46 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000246F45D14C0, 16 bytes long.
 Data: <&#240;4]&#244;F           > F0 34 5D F4 46 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000246F45D1290, 16 bytes long.
 Data: <&#200;4]&#244;F           > C8 34 5D F4 46 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000246F45D1B00, 16 bytes long.
 Data: <&#160;4]&#244;F           > A0 34 5D F4 46 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000246F45D1DD0, 16 bytes long.
 Data: <x4]&#244;F           > 78 34 5D F4 46 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000246F45D1240, 16 bytes long.
 Data: <P4]&#244;F           > 50 34 5D F4 46 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000246F45D1AB0, 16 bytes long.
 Data: <&#240;&#180;\&#244;F           > F0 B4 5C F4 46 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000246F45CB4F0, 40 bytes long.
 Data: <&#176; ]&#244;F   @&#191; &#246;F   > B0 1A 5D F4 46 02 00 00 40 BF 1B F6 46 02 00 00 
{256} normal block at 0x00000246F45D1F10, 16 bytes long.
 Data: <04]&#244;F           > 30 34 5D F4 46 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000246F45D11F0, 16 bytes long.
 Data: < 4]&#244;F           > 08 34 5D F4 46 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000246F45CCC60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x00000246F45D1D30, 16 bytes long.
 Data: <&#224;3]&#244;F           > E0 33 5D F4 46 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000246F45D33E0, 992 bytes long.
 Data: <0 ]&#244;F   `&#204;\&#244;F   > 30 1D 5D F4 46 02 00 00 60 CC 5C F4 46 02 00 00 
{88} normal block at 0x00000246F45CD2C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x00000246F45C6BB0, 16 bytes long.
 Data: <p&#184;\&#244;F           > 70 B8 5C F4 46 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x00000246F45CB870, 40 bytes long.
 Data: <&#176;k\&#244;F   &#192;&#210;\&#244;F   > B0 6B 5C F4 46 02 00 00 C0 D2 5C F4 46 02 00 00 
{65} normal block at 0x00000246F45C7010, 16 bytes long.
 Data: < &#234;&#246; &#246;           > 80 EA F6 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000246F45C6FC0, 16 bytes long.
 Data: <@&#233;&#246; &#246;           > 40 E9 F6 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000246F45C6DE0, 16 bytes long.
 Data: <&#248;W&#243; &#246;           > F8 57 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000246F45C6E80, 16 bytes long.
 Data: <&#216;W&#243; &#246;           > D8 57 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000246F45C6B60, 16 bytes long.
 Data: <P &#243; &#246;           > 50 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000246F45C66B0, 16 bytes long.
 Data: <0 &#243; &#246;           > 30 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000246F45C63E0, 16 bytes long.
 Data: <&#224; &#243; &#246;           > E0 02 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000246F45C6890, 16 bytes long.
 Data: <  &#243; &#246;           > 10 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000246F45C6D90, 16 bytes long.
 Data: <p &#243; &#246;           > 70 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000246F45C6A70, 16 bytes long.
 Data: < &#192;&#241; &#246;           > 18 C0 F1 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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