Task 38680782

Name test_141-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND3776_0
Workunit 31622482
Created 27 Oct 2026, 1:28:31 UTC
Sent 27 Oct 2026, 1:28:34 UTC
Report deadline 1 Nov 2026, 1:28:34 UTC
Received 27 Oct 2026, 2:28:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 616686
Run time 49 min 52 sec
CPU time 40 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,849.38 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.34 MB
Peak swap size 9.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:36:18 (37776): wrapper (7.9.26016): starting
21:36:18 (37776): 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
21:36:20 (37776): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:36:20 (37776): 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 'D:\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 'D:\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
22:24:29 (37776): C:/Windows/system32/cmd.exe exited; CPU time 2433.687500
22:24:29 (37776): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 69068471 bytes.
Dumping objects ->
{3835431} normal block at 0x000001897F49D370, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835420} normal block at 0x000001897F49D530, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835409} normal block at 0x000001897F49D290, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835398} normal block at 0x000001897D771210, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835387} normal block at 0x000001897D7713D0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835356} normal block at 0x000001897F3CD2C0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835343} normal block at 0x000001897D76B140, 8 bytes long.
 Data: <    &#137;   > 00 00 0D 7F 89 01 00 00 
{3833957} normal block at 0x000001897D76B050, 8 bytes long.
 Data: < xN &#137;   > 00 78 4E 7F 89 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001897D75E5B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001897D75B8F0, 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 0x000001897D773D30, 16 bytes long.
 Data: <&#168;Nw}&#137;           > A8 4E 77 7D 89 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001897D7747D0, 16 bytes long.
 Data: < Nw}&#137;           > 80 4E 77 7D 89 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001897D76D450, 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 0x000001897D7742D0, 16 bytes long.
 Data: <XNw}&#137;           > 58 4E 77 7D 89 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001897D774140, 16 bytes long.
 Data: <0Nw}&#137;           > 30 4E 77 7D 89 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001897D773B00, 16 bytes long.
 Data: < Nw}&#137;           > 08 4E 77 7D 89 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001897D773BF0, 16 bytes long.
 Data: <&#224;Mw}&#137;           > E0 4D 77 7D 89 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001897D7714B0, 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 0x000001897D774000, 16 bytes long.
 Data: <(&#176;u}&#137;           > 28 B0 75 7D 89 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001897D76C8B0, 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 0x000001897D773FB0, 16 bytes long.
 Data: < &#176;u}&#137;           > 00 B0 75 7D 89 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001897D774190, 16 bytes long.
 Data: <&#216;&#175;u}&#137;           > D8 AF 75 7D 89 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001897D773EC0, 16 bytes long.
 Data: <&#176;&#175;u}&#137;           > B0 AF 75 7D 89 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001897D773E20, 16 bytes long.
 Data: < &#175;u}&#137;           > 88 AF 75 7D 89 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001897D774780, 16 bytes long.
 Data: <`&#175;u}&#137;           > 60 AF 75 7D 89 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001897D7745A0, 16 bytes long.
 Data: <8&#175;u}&#137;           > 38 AF 75 7D 89 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001897D76CEB0, 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 0x000001897D7748C0, 16 bytes long.
 Data: < &#175;u}&#137;           > 10 AF 75 7D 89 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001897D75AF10, 320 bytes long.
 Data: <&#192;Hw}&#137;   &#176;&#206;v}&#137;   > C0 48 77 7D 89 01 00 00 B0 CE 76 7D 89 01 00 00 
{274} normal block at 0x000001897D7740A0, 16 bytes long.
 Data: <&#192;Mw}&#137;           > C0 4D 77 7D 89 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001897D774640, 16 bytes long.
 Data: < Mw}&#137;           > 98 4D 77 7D 89 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001897D76CF10, 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 0x000001897D773AB0, 16 bytes long.
 Data: <pMw}&#137;           > 70 4D 77 7D 89 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001897D76D390, 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 0x000001897D774050, 16 bytes long.
 Data: <&#184;Lw}&#137;           > B8 4C 77 7D 89 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001897D773C90, 16 bytes long.
 Data: < Lw}&#137;           > 90 4C 77 7D 89 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001897D774690, 16 bytes long.
 Data: <hLw}&#137;           > 68 4C 77 7D 89 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001897D774870, 16 bytes long.
 Data: <@Lw}&#137;           > 40 4C 77 7D 89 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001897D774280, 16 bytes long.
 Data: < Lw}&#137;           > 18 4C 77 7D 89 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001897D773DD0, 16 bytes long.
 Data: <&#240;Kw}&#137;           > F0 4B 77 7D 89 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001897D773BA0, 16 bytes long.
 Data: <@ w}&#137;           > 40 14 77 7D 89 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001897D771440, 40 bytes long.
 Data: <&#160;;w}&#137;   &#192;&#210;< &#137;   > A0 3B 77 7D 89 01 00 00 C0 D2 3C 7F 89 01 00 00 
{260} normal block at 0x000001897D773F10, 16 bytes long.
 Data: <&#208;Kw}&#137;           > D0 4B 77 7D 89 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001897D773CE0, 16 bytes long.
 Data: <&#168;Kw}&#137;           > A8 4B 77 7D 89 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001897D76CAF0, 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 0x000001897D773E70, 16 bytes long.
 Data: < Kw}&#137;           > 80 4B 77 7D 89 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001897D774B80, 992 bytes long.
 Data: <p>w}&#137;   &#240;&#202;v}&#137;   > 70 3E 77 7D 89 01 00 00 F0 CA 76 7D 89 01 00 00 
{92} normal block at 0x000001897D76CFD0, 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 0x000001897D76A880, 16 bytes long.
 Data: <  w}&#137;           > 90 0E 77 7D 89 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001897D770E90, 40 bytes long.
 Data: < &#168;v}&#137;   &#208;&#207;v}&#137;   > 80 A8 76 7D 89 01 00 00 D0 CF 76 7D 89 01 00 00 
{69} normal block at 0x000001897D76B690, 16 bytes long.
 Data: < &#234;YF&#247;           > 80 EA 59 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001897D76B370, 16 bytes long.
 Data: <@&#233;YF&#247;           > 40 E9 59 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001897D76AD30, 16 bytes long.
 Data: <&#248;WVF&#247;           > F8 57 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001897D76B0F0, 16 bytes long.
 Data: <&#216;WVF&#247;           > D8 57 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001897D76B320, 16 bytes long.
 Data: <P VF&#247;           > 50 04 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001897D76ABF0, 16 bytes long.
 Data: <0 VF&#247;           > 30 04 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001897D76B2D0, 16 bytes long.
 Data: <&#224; VF&#247;           > E0 02 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001897D76B0A0, 16 bytes long.
 Data: <  VF&#247;           > 10 04 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001897D76AD80, 16 bytes long.
 Data: <p VF&#247;           > 70 04 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001897D76B6E0, 16 bytes long.
 Data: < &#192;TF&#247;           > 18 C0 54 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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