Task 38697263

Name test_828-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND9915_0
Workunit 31637848
Created 1 Nov 2026, 11:39:38 UTC
Sent 1 Nov 2026, 11:39:43 UTC
Report deadline 6 Nov 2026, 11:39:43 UTC
Received 1 Nov 2026, 11:53:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649326
Run time 12 min 48 sec
CPU time 11 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 109,978.67 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 721.71 MB
Peak swap size 4.20 GB
Peak disk usage 3.24 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
11:40:43 (12276): wrapper (7.9.26016): starting
11:40:43 (12276): 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
11:40:44 (12276): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:40:44 (12276): 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
11:52:55 (12276): C:/Windows/system32/cmd.exe exited; CPU time 669.671875
11:52:55 (12276): 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: 13982045 bytes.
Dumping objects ->
{3835528} normal block at 0x000002AB3FB4B8E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835517} normal block at 0x000002AB3FB4B6B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835506} normal block at 0x000002AB3FB4BBF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835495} normal block at 0x000002AB3FB4B4F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835484} normal block at 0x000002AB3FB4B410, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835453} normal block at 0x000002AB41769920, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835440} normal block at 0x000002AB3FB1E8F0, 8 bytes long.
 Data: <  &#175;?&#171;   > 00 00 AF 3F AB 02 00 00 
{3833965} normal block at 0x000002AB3FB1E800, 8 bytes long.
 Data: <`[ A&#171;   > 60 5B 7F 41 AB 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002AB3FB28AB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002AB3FB0FBB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000002AB3FB25FB0, 16 bytes long.
 Data: <(o&#178;?&#171;           > 28 6F B2 3F AB 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002AB3FB26AA0, 16 bytes long.
 Data: < o&#178;?&#171;           > 00 6F B2 3F AB 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002AB3FB214B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000002AB3FB26910, 16 bytes long.
 Data: <&#216;n&#178;?&#171;           > D8 6E B2 3F AB 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002AB3FB26870, 16 bytes long.
 Data: <&#176;n&#178;?&#171;           > B0 6E B2 3F AB 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002AB3FB26A00, 16 bytes long.
 Data: < n&#178;?&#171;           > 88 6E B2 3F AB 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002AB3FB25E20, 16 bytes long.
 Data: <`n&#178;?&#171;           > 60 6E B2 3F AB 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002AB3FB22050, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000002AB3FB25DD0, 16 bytes long.
 Data: <&#184; &#178;?&#171;           > B8 01 B2 3F AB 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002AB3FB20D90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000002AB3FB25EC0, 16 bytes long.
 Data: <  &#178;?&#171;           > 90 01 B2 3F AB 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002AB3FB262D0, 16 bytes long.
 Data: <h &#178;?&#171;           > 68 01 B2 3F AB 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002AB3FB26820, 16 bytes long.
 Data: <@ &#178;?&#171;           > 40 01 B2 3F AB 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002AB3FB263C0, 16 bytes long.
 Data: <  &#178;?&#171;           > 18 01 B2 3F AB 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002AB3FB26050, 16 bytes long.
 Data: <&#240; &#178;?&#171;           > F0 00 B2 3F AB 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002AB3FB267D0, 16 bytes long.
 Data: <&#200; &#178;?&#171;           > C8 00 B2 3F AB 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002AB3FB20E50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000002AB3FB261E0, 16 bytes long.
 Data: <&#160; &#178;?&#171;           > A0 00 B2 3F AB 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002AB3FB200A0, 320 bytes long.
 Data: <&#224;a&#178;?&#171;   P &#178;?&#171;   > E0 61 B2 3F AB 02 00 00 50 0E B2 3F AB 02 00 00 
{278} normal block at 0x000002AB3FB26780, 16 bytes long.
 Data: <@n&#178;?&#171;           > 40 6E B2 3F AB 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002AB3FB260A0, 16 bytes long.
 Data: < n&#178;?&#171;           > 18 6E B2 3F AB 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002AB3FB20DF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000002AB3FB26410, 16 bytes long.
 Data: <&#240;m&#178;?&#171;           > F0 6D B2 3F AB 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002AB3FB21210, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000002AB3FB26640, 16 bytes long.
 Data: <8m&#178;?&#171;           > 38 6D B2 3F AB 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002AB3FB26730, 16 bytes long.
 Data: < m&#178;?&#171;           > 10 6D B2 3F AB 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002AB3FB26370, 16 bytes long.
 Data: <&#232;l&#178;?&#171;           > E8 6C B2 3F AB 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002AB3FB25F60, 16 bytes long.
 Data: <&#192;l&#178;?&#171;           > C0 6C B2 3F AB 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002AB3FB26320, 16 bytes long.
 Data: < l&#178;?&#171;           > 98 6C B2 3F AB 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002AB3FB268C0, 16 bytes long.
 Data: <pl&#178;?&#171;           > 70 6C B2 3F AB 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002AB3FB265F0, 16 bytes long.
 Data: <p &#178;?&#171;           > 70 1F B2 3F AB 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002AB3FB21F70, 40 bytes long.
 Data: <&#240;e&#178;?&#171;     vA&#171;   > F0 65 B2 3F AB 02 00 00 20 99 76 41 AB 02 00 00 
{264} normal block at 0x000002AB3FB266E0, 16 bytes long.
 Data: <Pl&#178;?&#171;           > 50 6C B2 3F AB 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002AB3FB26690, 16 bytes long.
 Data: <(l&#178;?&#171;           > 28 6C B2 3F AB 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002AB3FB21330, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000002AB3FB25F10, 16 bytes long.
 Data: < l&#178;?&#171;           > 00 6C B2 3F AB 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002AB3FB26C00, 992 bytes long.
 Data: < _&#178;?&#171;   0 &#178;?&#171;   > 10 5F B2 3F AB 02 00 00 30 13 B2 3F AB 02 00 00 
{96} normal block at 0x000002AB3FB20F10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000002AB3FB1E8A0, 16 bytes long.
 Data: <  &#178;?&#171;           > 80 1B B2 3F AB 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002AB3FB21B80, 40 bytes long.
 Data: <&#160;&#232;&#177;?&#171;     &#178;?&#171;   > A0 E8 B1 3F AB 02 00 00 10 0F B2 3F AB 02 00 00 
{73} normal block at 0x000002AB3FB1F480, 16 bytes long.
 Data: < &#234;&#132;w&#247;           > 80 EA 84 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002AB3FB1F250, 16 bytes long.
 Data: <@&#233;&#132;w&#247;           > 40 E9 84 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002AB3FB1F2A0, 16 bytes long.
 Data: <&#248;W w&#247;           > F8 57 81 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002AB3FB1E670, 16 bytes long.
 Data: <&#216;W w&#247;           > D8 57 81 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002AB3FB1E850, 16 bytes long.
 Data: <P  w&#247;           > 50 04 81 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002AB3FB1F160, 16 bytes long.
 Data: <0  w&#247;           > 30 04 81 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002AB3FB1E7B0, 16 bytes long.
 Data: <&#224;  w&#247;           > E0 02 81 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002AB3FB1F070, 16 bytes long.
 Data: <   w&#247;           > 10 04 81 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002AB3FB1F110, 16 bytes long.
 Data: <p  w&#247;           > 70 04 81 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002AB3FB1E940, 16 bytes long.
 Data: < &#192; w&#247;           > 18 C0 7F 77 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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