Task 38672110

Name test_344-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND2263_0
Workunit 31614281
Created 25 Oct 2026, 22:28:43 UTC
Sent 25 Oct 2026, 22:28:50 UTC
Report deadline 30 Oct 2026, 22:28:50 UTC
Received 25 Oct 2026, 23:27:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648332
Run time 23 min 31 sec
CPU time 22 min 11 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 725.53 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>
19:04:06 (9092): wrapper (7.9.26016): starting
19:04:06 (9092): 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
19:04:07 (9092): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:04:07 (9092): 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
19:26:54 (9092): C:/Windows/system32/cmd.exe exited; CPU time 1331.437500
19:26:54 (9092): 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: 26258195 bytes.
Dumping objects ->
{3835219} normal block at 0x000001B029604410, 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 0x000001B029604560, 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 0x000001B0296049C0, 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 0x000001B029604480, 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 0x000001B0296044F0, 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 0x000001B02B488F10, 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 0x000001B02B49E4A0, 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 0x000001B0295FE2D0, 8 bytes long.
 Data: <  &#174;)&#176;   > 00 00 AE 29 B0 01 00 00 
{3834528} normal block at 0x000001B02B49DF20, 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 0x000001B0295FDF10, 8 bytes long.
 Data: <`&#229;@+&#176;   > 60 E5 40 2B B0 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001B0296008E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B0295F5590, 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 0x000001B029605570, 16 bytes long.
 Data: <&#184;]`)&#176;           > B8 5D 60 29 B0 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B029605070, 16 bytes long.
 Data: < ]`)&#176;           > 90 5D 60 29 B0 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B0295FF5F0, 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 0x000001B029604F80, 16 bytes long.
 Data: <h]`)&#176;           > 68 5D 60 29 B0 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B0296051B0, 16 bytes long.
 Data: <@]`)&#176;           > 40 5D 60 29 B0 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B029604CB0, 16 bytes long.
 Data: < ]`)&#176;           > 18 5D 60 29 B0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B029605110, 16 bytes long.
 Data: <&#240;\`)&#176;           > F0 5C 60 29 B0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B029604790, 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 0x000001B029604EE0, 16 bytes long.
 Data: <h&#180;^)&#176;           > 68 B4 5E 29 B0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B0295FF890, 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 0x000001B0296059D0, 16 bytes long.
 Data: <@&#180;^)&#176;           > 40 B4 5E 29 B0 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B029604C60, 16 bytes long.
 Data: < &#180;^)&#176;           > 18 B4 5E 29 B0 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B029605980, 16 bytes long.
 Data: <&#240;&#179;^)&#176;           > F0 B3 5E 29 B0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B0296053E0, 16 bytes long.
 Data: <&#200;&#179;^)&#176;           > C8 B3 5E 29 B0 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B029604C10, 16 bytes long.
 Data: <&#160;&#179;^)&#176;           > A0 B3 5E 29 B0 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B029605160, 16 bytes long.
 Data: <x&#179;^)&#176;           > 78 B3 5E 29 B0 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B0295FF050, 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 0x000001B029605890, 16 bytes long.
 Data: <P&#179;^)&#176;           > 50 B3 5E 29 B0 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B0295EB350, 320 bytes long.
 Data: < X`)&#176;   P&#240;_)&#176;   > 90 58 60 29 B0 01 00 00 50 F0 5F 29 B0 01 00 00 
{269} normal block at 0x000001B029605020, 16 bytes long.
 Data: <&#208;\`)&#176;           > D0 5C 60 29 B0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B029604E90, 16 bytes long.
 Data: <&#168;\`)&#176;           > A8 5C 60 29 B0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B0295FF170, 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 0x000001B029605390, 16 bytes long.
 Data: < \`)&#176;           > 80 5C 60 29 B0 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B0295FF650, 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 0x000001B029605930, 16 bytes long.
 Data: <&#200;[`)&#176;           > C8 5B 60 29 B0 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B029605200, 16 bytes long.
 Data: <&#160;[`)&#176;           > A0 5B 60 29 B0 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B029604BC0, 16 bytes long.
 Data: <x[`)&#176;           > 78 5B 60 29 B0 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B029604D50, 16 bytes long.
 Data: <P[`)&#176;           > 50 5B 60 29 B0 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B0296058E0, 16 bytes long.
 Data: <([`)&#176;           > 28 5B 60 29 B0 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B029604D00, 16 bytes long.
 Data: < [`)&#176;           > 00 5B 60 29 B0 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001B029605480, 16 bytes long.
 Data: < G`)&#176;           > 20 47 60 29 B0 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001B029604720, 40 bytes long.
 Data: < T`)&#176;     H+&#176;   > 80 54 60 29 B0 01 00 00 10 8F 48 2B B0 01 00 00 
{255} normal block at 0x000001B029604F30, 16 bytes long.
 Data: <&#224;Z`)&#176;           > E0 5A 60 29 B0 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001B029605340, 16 bytes long.
 Data: <&#184;Z`)&#176;           > B8 5A 60 29 B0 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001B0295FF110, 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 0x000001B0296057F0, 16 bytes long.
 Data: < Z`)&#176;           > 90 5A 60 29 B0 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001B029605A90, 992 bytes long.
 Data: <&#240;W`)&#176;    &#241;_)&#176;   > F0 57 60 29 B0 01 00 00 10 F1 5F 29 B0 01 00 00 
{87} normal block at 0x000001B0295FEBD0, 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 0x000001B0295FE910, 16 bytes long.
 Data: <&#192;&#222;^)&#176;           > C0 DE 5E 29 B0 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001B0295EDEC0, 40 bytes long.
 Data: < &#233;_)&#176;   &#208;&#235;_)&#176;   > 10 E9 5F 29 B0 01 00 00 D0 EB 5F 29 B0 01 00 00 
{64} normal block at 0x000001B0295FE870, 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 0x000001B0295FDE70, 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 0x000001B0295FE0A0, 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 0x000001B0295FE280, 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 0x000001B0295FDD30, 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 0x000001B0295FDC40, 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 0x000001B0295FE730, 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 0x000001B0295FDE20, 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 0x000001B0295FDDD0, 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 0x000001B0295FE5F0, 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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