Task 38681870

Name test_125-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND9807_0
Workunit 31623514
Created 27 Oct 2026, 5:41:57 UTC
Sent 27 Oct 2026, 5:42:02 UTC
Report deadline 1 Nov 2026, 5:42:02 UTC
Received 27 Oct 2026, 6:18:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 592498
Run time 35 min 7 sec
CPU time 27 min 22 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,072.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.40 MB
Peak swap size 8.29 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:43:48 (52952): wrapper (7.9.26016): starting
23:43:48 (52952): 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
23:43:50 (52952): Library/usr/bin/tar.exe exited; CPU time 0.046875
23:43:50 (52952): 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\11\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\11\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
00:17:18 (52952): C:/Windows/system32/cmd.exe exited; CPU time 1642.734375
00:17:18 (52952): 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: 45558043 bytes.
Dumping objects ->
{3835193} normal block at 0x000001804E7EFE00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x000001804E7F0110, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835171} normal block at 0x000001804E7EFD90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835160} normal block at 0x000001804E7EFCB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835149} normal block at 0x000001804E7EFC40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835118} normal block at 0x0000018051DB9630, 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) : {3835105} normal block at 0x000001804E7EC810, 8 bytes long.
 Data: <  &#202;N    > 00 00 CA 4E 80 01 00 00 
{3833947} normal block at 0x000001804E7EBE60, 8 bytes long.
 Data: <   N    > 20 12 7F 4E 80 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001804E7DCCC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001804E7D5BC0, 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 0x000001804E7EC180, 16 bytes long.
 Data: <&#216;  N            > D8 08 7F 4E 80 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001804E7EC090, 16 bytes long.
 Data: <&#176;  N            > B0 08 7F 4E 80 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001804E7EB500, 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 0x000001804E7EC040, 16 bytes long.
 Data: <   N            > 88 08 7F 4E 80 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001804E7EBE10, 16 bytes long.
 Data: <`  N            > 60 08 7F 4E 80 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001804E7EBFF0, 16 bytes long.
 Data: <8  N            > 38 08 7F 4E 80 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001804E7EBD20, 16 bytes long.
 Data: <   N            > 10 08 7F 4E 80 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001804E7EFEE0, 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 0x000001804E7EBB40, 16 bytes long.
 Data: <&#232;  N            > E8 02 7F 4E 80 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001804E7EB080, 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 0x000001804E7EBAF0, 16 bytes long.
 Data: <&#192;  N            > C0 02 7F 4E 80 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001804E7ECA40, 16 bytes long.
 Data: <   N            > 98 02 7F 4E 80 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001804E7EC9F0, 16 bytes long.
 Data: <p  N            > 70 02 7F 4E 80 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001804E7EC950, 16 bytes long.
 Data: <H  N            > 48 02 7F 4E 80 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001804E7EC770, 16 bytes long.
 Data: <   N            > 20 02 7F 4E 80 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001804E7EBDC0, 16 bytes long.
 Data: <&#248;  N            > F8 01 7F 4E 80 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001804E7EB440, 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 0x000001804E7EC6D0, 16 bytes long.
 Data: <&#208;  N            > D0 01 7F 4E 80 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001804E7F01D0, 320 bytes long.
 Data: <&#208;&#198;~N    @&#180;~N    > D0 C6 7E 4E 80 01 00 00 40 B4 7E 4E 80 01 00 00 
{269} normal block at 0x000001804E7EC360, 16 bytes long.
 Data: <&#240;  N            > F0 07 7F 4E 80 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001804E7EC130, 16 bytes long.
 Data: <&#200;  N            > C8 07 7F 4E 80 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001804E7EB5C0, 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 0x000001804E7EC720, 16 bytes long.
 Data: <&#160;  N            > A0 07 7F 4E 80 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001804E7EB7A0, 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 0x000001804E7EC450, 16 bytes long.
 Data: <&#232;  N            > E8 06 7F 4E 80 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001804E7EC270, 16 bytes long.
 Data: <&#192;  N            > C0 06 7F 4E 80 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001804E7EC400, 16 bytes long.
 Data: <   N            > 98 06 7F 4E 80 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001804E7EC900, 16 bytes long.
 Data: <p  N            > 70 06 7F 4E 80 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001804E7EBB90, 16 bytes long.
 Data: <H  N            > 48 06 7F 4E 80 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001804E7EBF50, 16 bytes long.
 Data: <   N            > 20 06 7F 4E 80 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001804E7EC1D0, 16 bytes long.
 Data: <&#240;&#250;~N            > F0 FA 7E 4E 80 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001804E7EFAF0, 40 bytes long.
 Data: <&#208;&#193;~N    0&#150;&#219;Q    > D0 C1 7E 4E 80 01 00 00 30 96 DB 51 80 01 00 00 
{255} normal block at 0x000001804E7EC5E0, 16 bytes long.
 Data: <   N            > 00 06 7F 4E 80 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001804E7EC8B0, 16 bytes long.
 Data: <&#216;  N            > D8 05 7F 4E 80 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001804E7EAD20, 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 0x000001804E7EBCD0, 16 bytes long.
 Data: <&#176;  N            > B0 05 7F 4E 80 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001804E7F05B0, 992 bytes long.
 Data: <&#208;&#188;~N     &#173;~N    > D0 BC 7E 4E 80 01 00 00 20 AD 7E 4E 80 01 00 00 
{87} normal block at 0x000001804E7EB680, 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 0x000001804E7EBEB0, 16 bytes long.
 Data: <&#192;&#255;~N            > C0 FF 7E 4E 80 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001804E7EFFC0, 40 bytes long.
 Data: <&#176;&#190;~N     &#182;~N    > B0 BE 7E 4E 80 01 00 00 80 B6 7E 4E 80 01 00 00 
{64} normal block at 0x000001804E7EC310, 16 bytes long.
 Data: < &#234;E&#253;&#246;           > 80 EA 45 FD F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001804E7EBBE0, 16 bytes long.
 Data: <@&#233;E&#253;&#246;           > 40 E9 45 FD F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001804E7EC680, 16 bytes long.
 Data: <&#248;WB&#253;&#246;           > F8 57 42 FD F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001804E7DFE10, 16 bytes long.
 Data: <&#216;WB&#253;&#246;           > D8 57 42 FD F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001804E7DFDC0, 16 bytes long.
 Data: <P B&#253;&#246;           > 50 04 42 FD F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001804E7E0310, 16 bytes long.
 Data: <0 B&#253;&#246;           > 30 04 42 FD F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001804E7DFD70, 16 bytes long.
 Data: <&#224; B&#253;&#246;           > E0 02 42 FD F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001804E7DFD20, 16 bytes long.
 Data: <  B&#253;&#246;           > 10 04 42 FD F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001804E7DFCD0, 16 bytes long.
 Data: <p B&#253;&#246;           > 70 04 42 FD F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001804E7E0680, 16 bytes long.
 Data: < &#192;@&#253;&#246;           > 18 C0 40 FD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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