Task 38662166

Name test_1770-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND0713_0
Workunit 31605437
Created 24 Oct 2026, 18:19:31 UTC
Sent 24 Oct 2026, 18:19:36 UTC
Report deadline 29 Oct 2026, 18:19:36 UTC
Received 24 Oct 2026, 22:28:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648332
Run time 22 min 6 sec
CPU time 20 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,707.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.27 MB
Peak swap size 8.40 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:49:48 (28808): wrapper (7.9.26016): starting
14:49:48 (28808): 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
14:49:50 (28808): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:49:50 (28808): 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
15:11:12 (28808): C:/Windows/system32/cmd.exe exited; CPU time 1246.484375
15:11:12 (28808): 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: 24566389 bytes.
Dumping objects ->
{3835219} normal block at 0x000001523FD14A80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x000001523FD14CB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x000001523FD149A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x000001523FD14930, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000001523FD14BD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x0000015241A55900, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x0000015241A6DD60, 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) : {3835130} normal block at 0x000001523FD0E2D0, 8 bytes long.
 Data: <  &#202;?R   > 00 00 CA 3F 52 01 00 00 
{3834528} normal block at 0x0000015241A6E390, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x000001523FD0E410, 8 bytes long.
 Data: <&#192;B&#174;AR   > C0 42 AE 41 52 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001523FD10930, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001523FD00650, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000001523FD15E80, 16 bytes long.
 Data: < e&#209;?R           > 88 65 D1 3F 52 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001523FD16010, 16 bytes long.
 Data: <`e&#209;?R           > 60 65 D1 3F 52 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001523FD0F8E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000001523FD15DE0, 16 bytes long.
 Data: <8e&#209;?R           > 38 65 D1 3F 52 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001523FD15D90, 16 bytes long.
 Data: < e&#209;?R           > 10 65 D1 3F 52 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001523FD157A0, 16 bytes long.
 Data: <&#232;d&#209;?R           > E8 64 D1 3F 52 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001523FD15390, 16 bytes long.
 Data: <&#192;d&#209;?R           > C0 64 D1 3F 52 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001523FD14770, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000001523FD15D40, 16 bytes long.
 Data: <h&#180;&#207;?R           > 68 B4 CF 3F 52 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001523FD0FEE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000001523FD15CA0, 16 bytes long.
 Data: <@&#180;&#207;?R           > 40 B4 CF 3F 52 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001523FD155C0, 16 bytes long.
 Data: < &#180;&#207;?R           > 18 B4 CF 3F 52 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001523FD152F0, 16 bytes long.
 Data: <&#240;&#179;&#207;?R           > F0 B3 CF 3F 52 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001523FD15C00, 16 bytes long.
 Data: <&#200;&#179;&#207;?R           > C8 B3 CF 3F 52 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001523FD161A0, 16 bytes long.
 Data: <&#160;&#179;&#207;?R           > A0 B3 CF 3F 52 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001523FD153E0, 16 bytes long.
 Data: <x&#179;&#207;?R           > 78 B3 CF 3F 52 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001523FD0FCA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x000001523FD15890, 16 bytes long.
 Data: <P&#179;&#207;?R           > 50 B3 CF 3F 52 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001523FCFB350, 320 bytes long.
 Data: < X&#209;?R   &#160;&#252;&#208;?R   > 90 58 D1 3F 52 01 00 00 A0 FC D0 3F 52 01 00 00 
{269} normal block at 0x000001523FD15CF0, 16 bytes long.
 Data: <&#160;d&#209;?R           > A0 64 D1 3F 52 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001523FD16100, 16 bytes long.
 Data: <xd&#209;?R           > 78 64 D1 3F 52 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001523FD0F700, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000001523FD15BB0, 16 bytes long.
 Data: <Pd&#209;?R           > 50 64 D1 3F 52 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001523FD0FB80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000001523FD15570, 16 bytes long.
 Data: < c&#209;?R           > 98 63 D1 3F 52 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001523FD15B60, 16 bytes long.
 Data: <pc&#209;?R           > 70 63 D1 3F 52 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001523FD158E0, 16 bytes long.
 Data: <Hc&#209;?R           > 48 63 D1 3F 52 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001523FD15B10, 16 bytes long.
 Data: < c&#209;?R           > 20 63 D1 3F 52 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001523FD15A20, 16 bytes long.
 Data: <&#248;b&#209;?R           > F8 62 D1 3F 52 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001523FD15AC0, 16 bytes long.
 Data: <&#208;b&#209;?R           > D0 62 D1 3F 52 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001523FD159D0, 16 bytes long.
 Data: < M&#209;?R           > 90 4D D1 3F 52 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001523FD14D90, 40 bytes long.
 Data: <&#208;Y&#209;?R    Y&#165;AR   > D0 59 D1 3F 52 01 00 00 00 59 A5 41 52 01 00 00 
{255} normal block at 0x000001523FD15A70, 16 bytes long.
 Data: <&#176;b&#209;?R           > B0 62 D1 3F 52 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001523FD15F70, 16 bytes long.
 Data: < b&#209;?R           > 88 62 D1 3F 52 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001523FD0F340, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000001523FD15980, 16 bytes long.
 Data: <`b&#209;?R           > 60 62 D1 3F 52 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001523FD16260, 992 bytes long.
 Data: < Y&#209;?R   @&#243;&#208;?R   > 80 59 D1 3F 52 01 00 00 40 F3 D0 3F 52 01 00 00 
{87} normal block at 0x000001523FD0FA60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000001523FD0EEB0, 16 bytes long.
 Data: <&#224;&#236;&#207;?R           > E0 EC CF 3F 52 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001523FCFECE0, 40 bytes long.
 Data: <&#176;&#238;&#208;?R   `&#250;&#208;?R   > B0 EE D0 3F 52 01 00 00 60 FA D0 3F 52 01 00 00 
{64} normal block at 0x000001523FD0EA00, 16 bytes long.
 Data: < &#234;&#181;1&#247;           > 80 EA B5 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001523FD0EAA0, 16 bytes long.
 Data: <@&#233;&#181;1&#247;           > 40 E9 B5 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001523FD0E4B0, 16 bytes long.
 Data: <&#248;W&#178;1&#247;           > F8 57 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001523FD0E5A0, 16 bytes long.
 Data: <&#216;W&#178;1&#247;           > D8 57 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001523FD0EFF0, 16 bytes long.
 Data: <P &#178;1&#247;           > 50 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001523FD0EC80, 16 bytes long.
 Data: <0 &#178;1&#247;           > 30 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001523FD0EDC0, 16 bytes long.
 Data: <&#224; &#178;1&#247;           > E0 02 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001523FD0EE60, 16 bytes long.
 Data: <  &#178;1&#247;           > 10 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001523FD0E3C0, 16 bytes long.
 Data: <p &#178;1&#247;           > 70 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001523FD0EE10, 16 bytes long.
 Data: < &#192;&#176;1&#247;           > 18 C0 B0 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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