Task 38679638

Name test_773-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND4634_0
Workunit 31621405
Created 26 Oct 2026, 21:14:26 UTC
Sent 26 Oct 2026, 21:14:28 UTC
Report deadline 31 Oct 2026, 21:14:28 UTC
Received 26 Oct 2026, 22:00:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649780
Run time 41 min 30 sec
CPU time 35 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,999.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.57 MB
Peak swap size 9.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:19:28 (12628): wrapper (7.9.26016): starting
17:19:28 (12628): 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
17:19:29 (12628): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:19:29 (12628): 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\3\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\3\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
18:00:08 (12628): C:/Windows/system32/cmd.exe exited; CPU time 2157.203125
18:00:08 (12628): 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: 41260297 bytes.
Dumping objects ->
{3835479} normal block at 0x000002612C784290, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x000002612C784220, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x000002612C784920, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835446} normal block at 0x000002612C7848B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835435} normal block at 0x000002612C7847D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835404} normal block at 0x000002612E538630, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835393} normal block at 0x000002612E54E880, 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) : {3835390} normal block at 0x000002612C77FD70, 8 bytes long.
 Data: <  u,a   > 00 00 75 2C 61 02 00 00 
{3834663} normal block at 0x000002612E54DC20, 102 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 0x000002612C77F460, 8 bytes long.
 Data: < J\.a   > 80 4A 5C 2E 61 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002612C780C40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002612C776920, 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 0x000002612C785840, 16 bytes long.
 Data: < Qx,a           > 08 51 78 2C 61 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002612C785D40, 16 bytes long.
 Data: <&#224;Px,a           > E0 50 78 2C 61 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002612C77E280, 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 0x000002612C786150, 16 bytes long.
 Data: <&#184;Px,a           > B8 50 78 2C 61 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002612C785CF0, 16 bytes long.
 Data: < Px,a           > 90 50 78 2C 61 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002612C785B60, 16 bytes long.
 Data: <hPx,a           > 68 50 78 2C 61 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002612C7861A0, 16 bytes long.
 Data: <@Px,a           > 40 50 78 2C 61 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002612C784680, 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 0x000002612C785DE0, 16 bytes long.
 Data: <h&#249;v,a           > 68 F9 76 2C 61 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002612C77EBE0, 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 0x000002612C785750, 16 bytes long.
 Data: <@&#249;v,a           > 40 F9 76 2C 61 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002612C785C50, 16 bytes long.
 Data: < &#249;v,a           > 18 F9 76 2C 61 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002612C785570, 16 bytes long.
 Data: <&#240;&#248;v,a           > F0 F8 76 2C 61 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002612C785AC0, 16 bytes long.
 Data: <&#200;&#248;v,a           > C8 F8 76 2C 61 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002612C785A70, 16 bytes long.
 Data: <&#160;&#248;v,a           > A0 F8 76 2C 61 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002612C7857F0, 16 bytes long.
 Data: <x&#248;v,a           > 78 F8 76 2C 61 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002612C77E1C0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{274} normal block at 0x000002612C785A20, 16 bytes long.
 Data: <P&#248;v,a           > 50 F8 76 2C 61 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002612C76F850, 320 bytes long.
 Data: < Zx,a   &#192;&#225;w,a   > 20 5A 78 2C 61 02 00 00 C0 E1 77 2C 61 02 00 00 
{272} normal block at 0x000002612C7853E0, 16 bytes long.
 Data: < Px,a           > 20 50 78 2C 61 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002612C785CA0, 16 bytes long.
 Data: <&#248;Ox,a           > F8 4F 78 2C 61 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002612C77E4C0, 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 0x000002612C785930, 16 bytes long.
 Data: <&#208;Ox,a           > D0 4F 78 2C 61 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002612C77E7C0, 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 0x000002612C7857A0, 16 bytes long.
 Data: < Ox,a           > 18 4F 78 2C 61 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002612C785520, 16 bytes long.
 Data: <&#240;Nx,a           > F0 4E 78 2C 61 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002612C7855C0, 16 bytes long.
 Data: <&#200;Nx,a           > C8 4E 78 2C 61 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002612C7859D0, 16 bytes long.
 Data: <&#160;Nx,a           > A0 4E 78 2C 61 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002612C77F2D0, 16 bytes long.
 Data: <xNx,a           > 78 4E 78 2C 61 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002612C77F1E0, 16 bytes long.
 Data: <PNx,a           > 50 4E 78 2C 61 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002612C77F140, 16 bytes long.
 Data: <@Hx,a           > 40 48 78 2C 61 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002612C784840, 40 bytes long.
 Data: <@&#241;w,a   0&#134;S.a   > 40 F1 77 2C 61 02 00 00 30 86 53 2E 61 02 00 00 
{258} normal block at 0x000002612C77FDC0, 16 bytes long.
 Data: <0Nx,a           > 30 4E 78 2C 61 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002612C77F690, 16 bytes long.
 Data: < Nx,a           > 08 4E 78 2C 61 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002612C77E460, 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 0x000002612C77F5F0, 16 bytes long.
 Data: <&#224;Mx,a           > E0 4D 78 2C 61 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002612C784DE0, 992 bytes long.
 Data: <&#240;&#245;w,a   `&#228;w,a   > F0 F5 77 2C 61 02 00 00 60 E4 77 2C 61 02 00 00 
{90} normal block at 0x000002612C77DEC0, 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 0x000002612C77EFB0, 16 bytes long.
 Data: <&#192;&#237;v,a           > C0 ED 76 2C 61 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000002612C76EDC0, 40 bytes long.
 Data: <&#176;&#239;w,a   &#192;&#222;w,a   > B0 EF 77 2C 61 02 00 00 C0 DE 77 2C 61 02 00 00 
{67} normal block at 0x000002612C77FC80, 16 bytes long.
 Data: < &#234;+&#214;&#247;           > 80 EA 2B D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002612C77F500, 16 bytes long.
 Data: <@&#233;+&#214;&#247;           > 40 E9 2B D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002612C77F050, 16 bytes long.
 Data: <&#248;W(&#214;&#247;           > F8 57 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002612C77F000, 16 bytes long.
 Data: <&#216;W(&#214;&#247;           > D8 57 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002612C77F6E0, 16 bytes long.
 Data: <P (&#214;&#247;           > 50 04 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002612C77F410, 16 bytes long.
 Data: <0 (&#214;&#247;           > 30 04 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002612C77F190, 16 bytes long.
 Data: <&#224; (&#214;&#247;           > E0 02 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002612C77FAA0, 16 bytes long.
 Data: <  (&#214;&#247;           > 10 04 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002612C77F640, 16 bytes long.
 Data: <p (&#214;&#247;           > 70 04 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002612C77F730, 16 bytes long.
 Data: < &#192;&&#214;&#247;           > 18 C0 26 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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