Task 38652608

Name test_380-GPUGRID_TEST_ATM_4STEP_20261023-1-4-RND9579_0
Workunit 31596744
Created 24 Oct 2026, 4:13:02 UTC
Sent 24 Oct 2026, 4:23:41 UTC
Report deadline 29 Oct 2026, 4:23:41 UTC
Received 24 Oct 2026, 5:31:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 640711
Run time 57 min 41 sec
CPU time 57 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,852.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 698.48 MB
Peak swap size 6.71 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:26:08 (17592): wrapper (7.9.26016): starting
00:26:08 (17592): 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
00:26:09 (17592): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:26:09 (17592): 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\15\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\15\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
01:30:04 (17592): C:/Windows/system32/cmd.exe exited; CPU time 3461.546875
01:30:04 (17592): 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: 37635487 bytes.
Dumping objects ->
{3835305} normal block at 0x000001DE4547DE30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835294} normal block at 0x000001DE4547DAB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835283} normal block at 0x000001DE4547D420, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835272} normal block at 0x000001DE43835400, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835261} normal block at 0x000001DE43835390, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835230} normal block at 0x000001DE454CA740, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x000001DE454DFB50, 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) : {3835216} normal block at 0x000001DE4382D990, 8 bytes long.
 Data: <  zC&#222;   > 00 00 7A 43 DE 01 00 00 
{3834584} normal block at 0x000001DE454DF100, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833973} normal block at 0x000001DE4382DE90, 8 bytes long.
 Data: <&#240;K&#131;C&#222;   > F0 4B 83 43 DE 01 00 00 
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000001DE43831F70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001DE43826DA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{302} normal block at 0x000001DE43836930, 16 bytes long.
 Data: <&#232;o&#131;C&#222;           > E8 6F 83 43 DE 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001DE43835EE0, 16 bytes long.
 Data: <&#192;o&#131;C&#222;           > C0 6F 83 43 DE 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001DE4382F780, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{299} normal block at 0x000001DE43836160, 16 bytes long.
 Data: < o&#131;C&#222;           > 98 6F 83 43 DE 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001DE438368E0, 16 bytes long.
 Data: <po&#131;C&#222;           > 70 6F 83 43 DE 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001DE438367A0, 16 bytes long.
 Data: <Ho&#131;C&#222;           > 48 6F 83 43 DE 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001DE43836020, 16 bytes long.
 Data: < o&#131;C&#222;           > 20 6F 83 43 DE 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001DE43835160, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{294} normal block at 0x000001DE43835FD0, 16 bytes long.
 Data: <&#200;&#243;&#130;C&#222;           > C8 F3 82 43 DE 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001DE4382FF00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{292} normal block at 0x000001DE43836A20, 16 bytes long.
 Data: <&#160;&#243;&#130;C&#222;           > A0 F3 82 43 DE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001DE43836390, 16 bytes long.
 Data: <x&#243;&#130;C&#222;           > 78 F3 82 43 DE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001DE438361B0, 16 bytes long.
 Data: <P&#243;&#130;C&#222;           > 50 F3 82 43 DE 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001DE43835DF0, 16 bytes long.
 Data: <(&#243;&#130;C&#222;           > 28 F3 82 43 DE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001DE43836250, 16 bytes long.
 Data: < &#243;&#130;C&#222;           > 00 F3 82 43 DE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001DE43836570, 16 bytes long.
 Data: <&#216;&#242;&#130;C&#222;           > D8 F2 82 43 DE 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001DE43830140, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{284} normal block at 0x000001DE43836750, 16 bytes long.
 Data: <&#176;&#242;&#130;C&#222;           > B0 F2 82 43 DE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001DE4382F2B0, 320 bytes long.
 Data: <Pg&#131;C&#222;   @ &#131;C&#222;   > 50 67 83 43 DE 01 00 00 40 01 83 43 DE 01 00 00 
{282} normal block at 0x000001DE43836890, 16 bytes long.
 Data: < o&#131;C&#222;           > 00 6F 83 43 DE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001DE43836520, 16 bytes long.
 Data: <&#216;n&#131;C&#222;           > D8 6E 83 43 DE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001DE4382FEA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{279} normal block at 0x000001DE43836980, 16 bytes long.
 Data: <&#176;n&#131;C&#222;           > B0 6E 83 43 DE 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001DE4382F660, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{277} normal block at 0x000001DE438369D0, 16 bytes long.
 Data: <&#248;m&#131;C&#222;           > F8 6D 83 43 DE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001DE43835F80, 16 bytes long.
 Data: <&#208;m&#131;C&#222;           > D0 6D 83 43 DE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001DE43835F30, 16 bytes long.
 Data: <&#168;m&#131;C&#222;           > A8 6D 83 43 DE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001DE438362F0, 16 bytes long.
 Data: < m&#131;C&#222;           > 80 6D 83 43 DE 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001DE43836110, 16 bytes long.
 Data: <Xm&#131;C&#222;           > 58 6D 83 43 DE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DE43835D50, 16 bytes long.
 Data: <0m&#131;C&#222;           > 30 6D 83 43 DE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001DE438364D0, 16 bytes long.
 Data: <PU&#131;C&#222;           > 50 55 83 43 DE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001DE43835550, 40 bytes long.
 Data: <&#208;d&#131;C&#222;   @&#167;LE&#222;   > D0 64 83 43 DE 01 00 00 40 A7 4C 45 DE 01 00 00 
{268} normal block at 0x000001DE43836660, 16 bytes long.
 Data: < m&#131;C&#222;           > 10 6D 83 43 DE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DE438367F0, 16 bytes long.
 Data: <&#232;l&#131;C&#222;           > E8 6C 83 43 DE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001DE4382FD80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{265} normal block at 0x000001DE43836480, 16 bytes long.
 Data: <&#192;l&#131;C&#222;           > C0 6C 83 43 DE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001DE43836CC0, 992 bytes long.
 Data: < d&#131;C&#222;    &#253;&#130;C&#222;   > 80 64 83 43 DE 01 00 00 80 FD 82 43 DE 01 00 00 
{100} normal block at 0x000001DE4382FE40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{99} normal block at 0x000001DE4382DDA0, 16 bytes long.
 Data: <&#192;U&#131;C&#222;           > C0 55 83 43 DE 01 00 00 00 00 00 00 00 00 00 00 
{98} normal block at 0x000001DE438355C0, 40 bytes long.
 Data: <&#160;&#221;&#130;C&#222;   @&#254;&#130;C&#222;   > A0 DD 82 43 DE 01 00 00 40 FE 82 43 DE 01 00 00 
{77} normal block at 0x000001DE4382E8E0, 16 bytes long.
 Data: < &#234;&#239;&#145;&#247;           > 80 EA EF 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001DE4382DC10, 16 bytes long.
 Data: <@&#233;&#239;&#145;&#247;           > 40 E9 EF 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001DE4382E520, 16 bytes long.
 Data: <&#248;W&#236;&#145;&#247;           > F8 57 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001DE4382DFD0, 16 bytes long.
 Data: <&#216;W&#236;&#145;&#247;           > D8 57 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001DE4382DBC0, 16 bytes long.
 Data: <P &#236;&#145;&#247;           > 50 04 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001DE4382E750, 16 bytes long.
 Data: <0 &#236;&#145;&#247;           > 30 04 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001DE4382E700, 16 bytes long.
 Data: <&#224; &#236;&#145;&#247;           > E0 02 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001DE4382E200, 16 bytes long.
 Data: <  &#236;&#145;&#247;           > 10 04 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001DE4382DD50, 16 bytes long.
 Data: <p &#236;&#145;&#247;           > 70 04 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001DE4382E160, 16 bytes long.
 Data: < &#192;&#234;&#145;&#247;           > 18 C0 EA 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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