Task 38667254

Name test_656-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND4589_0
Workunit 31609910
Created 25 Oct 2026, 7:04:51 UTC
Sent 25 Oct 2026, 7:05:01 UTC
Report deadline 30 Oct 2026, 7:05:01 UTC
Received 25 Oct 2026, 20:53:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654590
Run time 1 hours 8 min 37 sec
CPU time 1 hours 2 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.78 MB
Peak swap size 6.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:46:23 (11764): wrapper (7.9.26016): starting
12:46:23 (11764): 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
12:46:29 (11764): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:46:29 (11764): 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
13:53:21 (11764): C:/Windows/system32/cmd.exe exited; CPU time 3724.187500
13:53:21 (11764): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 63231983 bytes.
Dumping objects ->
{3835449} normal block at 0x00000184489C9810, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835438} normal block at 0x00000184489A3F60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x00000184489A3EF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835416} normal block at 0x00000184489A3E80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835405} normal block at 0x00000184489A4580, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835374} normal block at 0x000001844A61BDC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835363} normal block at 0x00000184489FC7C0, 140 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) : {3835360} normal block at 0x000001844899EB20, 8 bytes long.
 Data: <  &#146;H&#132;   > 00 00 92 48 84 01 00 00 
{3834646} normal block at 0x00000184489FC890, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x000001844899F250, 8 bytes long.
 Data: < &#230;&#167;H&#132;   > 00 E6 A7 48 84 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000184489A0620, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018448995340, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x00000184489A4E40, 16 bytes long.
 Data: < K&#154;H&#132;           > 18 4B 9A 48 84 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000184489A4DF0, 16 bytes long.
 Data: <&#240;J&#154;H&#132;           > F0 4A 9A 48 84 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001844899E8A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x00000184489A4F80, 16 bytes long.
 Data: <&#200;J&#154;H&#132;           > C8 4A 9A 48 84 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000184489A50C0, 16 bytes long.
 Data: <&#160;J&#154;H&#132;           > A0 4A 9A 48 84 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000184489A5840, 16 bytes long.
 Data: <xJ&#154;H&#132;           > 78 4A 9A 48 84 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000184489A5980, 16 bytes long.
 Data: <PJ&#154;H&#132;           > 50 4A 9A 48 84 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000184489A42E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x00000184489A4E90, 16 bytes long.
 Data: < &#133; H&#132;           > 08 85 99 48 84 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001844899E720, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x00000184489A5070, 16 bytes long.
 Data: <&#224;&#132; H&#132;           > E0 84 99 48 84 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000184489A5610, 16 bytes long.
 Data: <&#184;&#132; H&#132;           > B8 84 99 48 84 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000184489A5520, 16 bytes long.
 Data: < &#132; H&#132;           > 90 84 99 48 84 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000184489A52F0, 16 bytes long.
 Data: <h&#132; H&#132;           > 68 84 99 48 84 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000184489A52A0, 16 bytes long.
 Data: <@&#132; H&#132;           > 40 84 99 48 84 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000184489A5250, 16 bytes long.
 Data: < &#132; H&#132;           > 18 84 99 48 84 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001844899E180, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x00000184489A5570, 16 bytes long.
 Data: <&#240;&#131; H&#132;           > F0 83 99 48 84 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000184489983F0, 320 bytes long.
 Data: <pU&#154;H&#132;    &#225; H&#132;   > 70 55 9A 48 84 01 00 00 80 E1 99 48 84 01 00 00 
{272} normal block at 0x00000184489A4FD0, 16 bytes long.
 Data: <0J&#154;H&#132;           > 30 4A 9A 48 84 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000184489A4C60, 16 bytes long.
 Data: < J&#154;H&#132;           > 08 4A 9A 48 84 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001844899DB20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x00000184489A5020, 16 bytes long.
 Data: <&#224;I&#154;H&#132;           > E0 49 9A 48 84 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001844899E660, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x00000184489A4F30, 16 bytes long.
 Data: <(I&#154;H&#132;           > 28 49 9A 48 84 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000184489A57F0, 16 bytes long.
 Data: < I&#154;H&#132;           > 00 49 9A 48 84 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000184489A5890, 16 bytes long.
 Data: <&#216;H&#154;H&#132;           > D8 48 9A 48 84 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001844899F7F0, 16 bytes long.
 Data: <&#176;H&#154;H&#132;           > B0 48 9A 48 84 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001844899F020, 16 bytes long.
 Data: < H&#154;H&#132;           > 88 48 9A 48 84 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001844899EF30, 16 bytes long.
 Data: <`H&#154;H&#132;           > 60 48 9A 48 84 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001844899EEE0, 16 bytes long.
 Data: < B&#154;H&#132;           > 00 42 9A 48 84 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000184489A4200, 40 bytes long.
 Data: <&#224;&#238; H&#132;   &#192;&#189;aJ&#132;   > E0 EE 99 48 84 01 00 00 C0 BD 61 4A 84 01 00 00 
{258} normal block at 0x000001844899F750, 16 bytes long.
 Data: <@H&#154;H&#132;           > 40 48 9A 48 84 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001844899F660, 16 bytes long.
 Data: < H&#154;H&#132;           > 18 48 9A 48 84 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001844899E600, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000001844899F5C0, 16 bytes long.
 Data: <&#240;G&#154;H&#132;           > F0 47 9A 48 84 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000184489A47F0, 992 bytes long.
 Data: <&#192;&#245; H&#132;    &#230; H&#132;   > C0 F5 99 48 84 01 00 00 00 E6 99 48 84 01 00 00 
{90} normal block at 0x000001844899E840, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000001844899EFD0, 16 bytes long.
 Data: <&#160;&#198; H&#132;           > A0 C6 98 48 84 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001844898C6A0, 40 bytes long.
 Data: <&#208;&#239; H&#132;   @&#232; H&#132;   > D0 EF 99 48 84 01 00 00 40 E8 99 48 84 01 00 00 
{67} normal block at 0x000001844899F480, 16 bytes long.
 Data: < &#234;\7&#247;           > 80 EA 5C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001844899F8E0, 16 bytes long.
 Data: <@&#233;\7&#247;           > 40 E9 5C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001844899F3E0, 16 bytes long.
 Data: <&#248;WY7&#247;           > F8 57 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001844899F7A0, 16 bytes long.
 Data: <&#216;WY7&#247;           > D8 57 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001844899F980, 16 bytes long.
 Data: <P Y7&#247;           > 50 04 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001844899ED50, 16 bytes long.
 Data: <0 Y7&#247;           > 30 04 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001844899ED00, 16 bytes long.
 Data: <&#224; Y7&#247;           > E0 02 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001844899F160, 16 bytes long.
 Data: <  Y7&#247;           > 10 04 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001844899F6B0, 16 bytes long.
 Data: <p Y7&#247;           > 70 04 59 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001844899F110, 16 bytes long.
 Data: < &#192;W7&#247;           > 18 C0 57 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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