Task 38660447

Name test_166-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND4596_0
Workunit 31603952
Created 24 Oct 2026, 14:10:32 UTC
Sent 24 Oct 2026, 14:12:43 UTC
Report deadline 29 Oct 2026, 14:12:43 UTC
Received 24 Oct 2026, 15:09:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652341
Run time 45 min 36 sec
CPU time 37 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,346.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 677.01 MB
Peak swap size 2.36 GB
Peak disk usage 3.72 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:25:51 (13032): wrapper (7.9.26016): starting
16:25:51 (13032): 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
16:25:53 (13032): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:25:53 (13032): 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
17:09:24 (13032): C:/Windows/system32/cmd.exe exited; CPU time 2247.734375
17:09:24 (13032): 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: 33071185 bytes.
Dumping objects ->
{3835271} normal block at 0x000001F9D51ECA90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835260} normal block at 0x000001F9D51ECFD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835249} normal block at 0x000001F9D3584560, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835238} normal block at 0x000001F9D3584480, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x000001F9D3584B10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835196} normal block at 0x000001F9D523A630, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x000001F9D524ECA0, 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) : {3835182} normal block at 0x000001F9D357EF50, 8 bytes long.
 Data: <   &#211;&#249;   > 00 00 9D D3 F9 01 00 00 
{3834562} normal block at 0x000001F9D524EBF0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001F9D357E910, 8 bytes long.
 Data: < K,&#213;&#249;   > 10 4B 2C D5 F9 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001F9D3580430, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F9D356ED50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001F9D3585E00, 16 bytes long.
 Data: <&#232;aX&#211;&#249;           > E8 61 58 D3 F9 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F9D3585A40, 16 bytes long.
 Data: <&#192;aX&#211;&#249;           > C0 61 58 D3 F9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F9D357FCC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001F9D35859F0, 16 bytes long.
 Data: < aX&#211;&#249;           > 98 61 58 D3 F9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F9D3585270, 16 bytes long.
 Data: <paX&#211;&#249;           > 70 61 58 D3 F9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F9D3585040, 16 bytes long.
 Data: <HaX&#211;&#249;           > 48 61 58 D3 F9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F9D3585540, 16 bytes long.
 Data: < aX&#211;&#249;           > 20 61 58 D3 F9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F9D3584790, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001F9D3585CC0, 16 bytes long.
 Data: <H&#180;V&#211;&#249;           > 48 B4 56 D3 F9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F9D357FEA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001F9D35854F0, 16 bytes long.
 Data: < &#180;V&#211;&#249;           > 20 B4 56 D3 F9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F9D3585AE0, 16 bytes long.
 Data: <&#248;&#179;V&#211;&#249;           > F8 B3 56 D3 F9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F9D35858B0, 16 bytes long.
 Data: <&#208;&#179;V&#211;&#249;           > D0 B3 56 D3 F9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F9D35859A0, 16 bytes long.
 Data: <&#168;&#179;V&#211;&#249;           > A8 B3 56 D3 F9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F9D3585860, 16 bytes long.
 Data: < &#179;V&#211;&#249;           > 80 B3 56 D3 F9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F9D35852C0, 16 bytes long.
 Data: <X&#179;V&#211;&#249;           > 58 B3 56 D3 F9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F9D357F2A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001F9D3585D10, 16 bytes long.
 Data: <0&#179;V&#211;&#249;           > 30 B3 56 D3 F9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F9D356B330, 320 bytes long.
 Data: < ]X&#211;&#249;   &#160;&#242;W&#211;&#249;   > 10 5D 58 D3 F9 01 00 00 A0 F2 57 D3 F9 01 00 00 
{274} normal block at 0x000001F9D3585680, 16 bytes long.
 Data: < aX&#211;&#249;           > 00 61 58 D3 F9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F9D35855E0, 16 bytes long.
 Data: <&#216;`X&#211;&#249;           > D8 60 58 D3 F9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F9D357F1E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001F9D35851D0, 16 bytes long.
 Data: <&#176;`X&#211;&#249;           > B0 60 58 D3 F9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F9D357F660, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001F9D3585310, 16 bytes long.
 Data: <&#248;_X&#211;&#249;           > F8 5F 58 D3 F9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F9D3585810, 16 bytes long.
 Data: <&#208;_X&#211;&#249;           > D0 5F 58 D3 F9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F9D3585130, 16 bytes long.
 Data: <&#168;_X&#211;&#249;           > A8 5F 58 D3 F9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F9D3585900, 16 bytes long.
 Data: < _X&#211;&#249;           > 80 5F 58 D3 F9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F9D3585180, 16 bytes long.
 Data: <X_X&#211;&#249;           > 58 5F 58 D3 F9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F9D35857C0, 16 bytes long.
 Data: <0_X&#211;&#249;           > 30 5F 58 D3 F9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F9D3585220, 16 bytes long.
 Data: <&#176;FX&#211;&#249;           > B0 46 58 D3 F9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F9D35846B0, 40 bytes long.
 Data: < RX&#211;&#249;   0&#166;#&#213;&#249;   > 20 52 58 D3 F9 01 00 00 30 A6 23 D5 F9 01 00 00 
{260} normal block at 0x000001F9D3585950, 16 bytes long.
 Data: < _X&#211;&#249;           > 10 5F 58 D3 F9 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F9D3585A90, 16 bytes long.
 Data: <&#232;^X&#211;&#249;           > E8 5E 58 D3 F9 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F9D357FA20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001F9D3585770, 16 bytes long.
 Data: <&#192;^X&#211;&#249;           > C0 5E 58 D3 F9 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F9D3585EC0, 992 bytes long.
 Data: <pWX&#211;&#249;    &#250;W&#211;&#249;   > 70 57 58 D3 F9 01 00 00 20 FA 57 D3 F9 01 00 00 
{92} normal block at 0x000001F9D357F240, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001F9D357E730, 16 bytes long.
 Data: <&#176;&#226;V&#211;&#249;           > B0 E2 56 D3 F9 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001F9D356E2B0, 40 bytes long.
 Data: <0&#231;W&#211;&#249;   @&#242;W&#211;&#249;   > 30 E7 57 D3 F9 01 00 00 40 F2 57 D3 F9 01 00 00 
{69} normal block at 0x000001F9D357E8C0, 16 bytes long.
 Data: < &#234;&#246; &#246;           > 80 EA F6 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F9D357EAA0, 16 bytes long.
 Data: <@&#233;&#246; &#246;           > 40 E9 F6 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F9D357ED20, 16 bytes long.
 Data: <&#248;W&#243; &#246;           > F8 57 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F9D357ECD0, 16 bytes long.
 Data: <&#216;W&#243; &#246;           > D8 57 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F9D357EC30, 16 bytes long.
 Data: <P &#243; &#246;           > 50 04 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F9D357EB90, 16 bytes long.
 Data: <0 &#243; &#246;           > 30 04 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F9D357E870, 16 bytes long.
 Data: <&#224; &#243; &#246;           > E0 02 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F9D357E230, 16 bytes long.
 Data: <  &#243; &#246;           > 10 04 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F9D357E0A0, 16 bytes long.
 Data: <p &#243; &#246;           > 70 04 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F9D357EC80, 16 bytes long.
 Data: < &#192;&#241; &#246;           > 18 C0 F1 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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