Task 38667537

Name test_487-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND0553_1
Workunit 31603179
Created 25 Oct 2026, 8:24:22 UTC
Sent 25 Oct 2026, 8:24:51 UTC
Report deadline 30 Oct 2026, 8:24:51 UTC
Received 25 Oct 2026, 11:55:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 602698
Run time 41 min 50 sec
CPU time 40 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,952.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 647.49 MB
Peak swap size 6.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:14:59 (3600): wrapper (7.9.26016): starting
12:14:59 (3600): 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
12:15:02 (3600): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:15:02 (3600): 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 'D:\BOINC\slots\8\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 'D:\BOINC\slots\8\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
12:55:17 (3600): C:/Windows/system32/cmd.exe exited; CPU time 2405.015625
12:55:17 (3600): called boinc_finish(0)
0 bytes in 0 Free Blocks.
458 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: 32227677 bytes.
Dumping objects ->
{3835229} normal block at 0x000001F3AF9B7860, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835218} normal block at 0x000001F3B15C6D30, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835207} normal block at 0x000001F3B15C6B50, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835196} normal block at 0x000001F3B15C6AF0, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835185} normal block at 0x000001F3B15C6CD0, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835154} normal block at 0x000001F3AF9B7A90, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835143} normal block at 0x000001F3B1615300, 141 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) : {3835140} normal block at 0x000001F3AF987DE0, 8 bytes long.
 Data: <  .&#177;&#243;   > 00 00 2E B1 F3 01 00 00 
{3834534} normal block at 0x000001F3B1615D90, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x000001F3AF987A70, 8 bytes long.
 Data: < &#205; &#175;&#243;   > 00 CD 9D AF F3 01 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x000001F3AF992A60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F3AF975BB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x000001F3AF993DC0, 16 bytes long.
 Data: <&#216;M &#175;&#243;           > D8 4D 99 AF F3 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F3AF994360, 16 bytes long.
 Data: <&#176;M &#175;&#243;           > B0 4D 99 AF F3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F3AF98D8E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x000001F3AF9941D0, 16 bytes long.
 Data: < M &#175;&#243;           > 88 4D 99 AF F3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F3AF993C30, 16 bytes long.
 Data: <`M &#175;&#243;           > 60 4D 99 AF F3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F3AF9946D0, 16 bytes long.
 Data: <8M &#175;&#243;           > 38 4D 99 AF F3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F3AF994680, 16 bytes long.
 Data: < M &#175;&#243;           > 10 4D 99 AF F3 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F3AF98C560, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x000001F3AF993CD0, 16 bytes long.
 Data: <H[&#151;&#175;&#243;           > 48 5B 97 AF F3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F3AF98D940, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x000001F3AF994630, 16 bytes long.
 Data: < [&#151;&#175;&#243;           > 20 5B 97 AF F3 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F3AF993B90, 16 bytes long.
 Data: <&#248;Z&#151;&#175;&#243;           > F8 5A 97 AF F3 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F3AF9949F0, 16 bytes long.
 Data: <&#208;Z&#151;&#175;&#243;           > D0 5A 97 AF F3 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F3AF993BE0, 16 bytes long.
 Data: <&#168;Z&#151;&#175;&#243;           > A8 5A 97 AF F3 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F3AF993F00, 16 bytes long.
 Data: < Z&#151;&#175;&#243;           > 80 5A 97 AF F3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F3AF994270, 16 bytes long.
 Data: <XZ&#151;&#175;&#243;           > 58 5A 97 AF F3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F3AF98DB20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x000001F3AF9945E0, 16 bytes long.
 Data: <0Z&#151;&#175;&#243;           > 30 5A 97 AF F3 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F3AF975A30, 320 bytes long.
 Data: <&#224;E &#175;&#243;    &#219; &#175;&#243;   > E0 45 99 AF F3 01 00 00 20 DB 98 AF F3 01 00 00 
{266} normal block at 0x000001F3AF994130, 16 bytes long.
 Data: <&#240;L &#175;&#243;           > F0 4C 99 AF F3 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F3AF993EB0, 16 bytes long.
 Data: <&#200;L &#175;&#243;           > C8 4C 99 AF F3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F3AF98DAC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x000001F3AF994310, 16 bytes long.
 Data: <&#160;L &#175;&#243;           > A0 4C 99 AF F3 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F3AF98D880, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x000001F3AF994A40, 16 bytes long.
 Data: <&#232;K &#175;&#243;           > E8 4B 99 AF F3 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F3AF994590, 16 bytes long.
 Data: <&#192;K &#175;&#243;           > C0 4B 99 AF F3 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F3AF994900, 16 bytes long.
 Data: < K &#175;&#243;           > 98 4B 99 AF F3 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F3AF994540, 16 bytes long.
 Data: <pK &#175;&#243;           > 70 4B 99 AF F3 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001F3AF9944F0, 16 bytes long.
 Data: <HK &#175;&#243;           > 48 4B 99 AF F3 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F3AF9944A0, 16 bytes long.
 Data: < K &#175;&#243;           > 20 4B 99 AF F3 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001F3AF9942C0, 16 bytes long.
 Data: <&#240;&#196; &#175;&#243;           > F0 C4 98 AF F3 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001F3AF98C4F0, 40 bytes long.
 Data: <&#192;B &#175;&#243;    z&#155;&#175;&#243;   > C0 42 99 AF F3 01 00 00 90 7A 9B AF F3 01 00 00 
{252} normal block at 0x000001F3AF994400, 16 bytes long.
 Data: < K &#175;&#243;           > 00 4B 99 AF F3 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001F3AF993AF0, 16 bytes long.
 Data: <&#216;J &#175;&#243;           > D8 4A 99 AF F3 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001F3AF98DDC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x000001F3AF994720, 16 bytes long.
 Data: <&#176;J &#175;&#243;           > B0 4A 99 AF F3 01 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x000001F3AF994AB0, 992 bytes long.
 Data: < G &#175;&#243;   &#192;&#221; &#175;&#243;   > 20 47 99 AF F3 01 00 00 C0 DD 98 AF F3 01 00 00 
{84} normal block at 0x000001F3AF98E5A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x000001F3AF988510, 16 bytes long.
 Data: < &#196; &#175;&#243;           > 80 C4 98 AF F3 01 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001F3AF98C480, 40 bytes long.
 Data: < &#133; &#175;&#243;   &#160;&#229; &#175;&#243;   > 10 85 98 AF F3 01 00 00 A0 E5 98 AF F3 01 00 00 
{61} normal block at 0x000001F3AF987A20, 16 bytes long.
 Data: < &#234;q8&#247;           > 80 EA 71 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F3AF9880B0, 16 bytes long.
 Data: <@&#233;q8&#247;           > 40 E9 71 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001F3AF987980, 16 bytes long.
 Data: <&#248;Wn8&#247;           > F8 57 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001F3AF987D90, 16 bytes long.
 Data: <&#216;Wn8&#247;           > D8 57 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001F3AF988010, 16 bytes long.
 Data: <P n8&#247;           > 50 04 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001F3AF987AC0, 16 bytes long.
 Data: <0 n8&#247;           > 30 04 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001F3AF988290, 16 bytes long.
 Data: <&#224; n8&#247;           > E0 02 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001F3AF987930, 16 bytes long.
 Data: <  n8&#247;           > 10 04 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001F3AF987E30, 16 bytes long.
 Data: <p n8&#247;           > 70 04 6E 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000001F3AF987890, 16 bytes long.
 Data: < &#192;l8&#247;           > 18 C0 6C 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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