Task 38679893

Name test_981-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND4125_0
Workunit 31621650
Created 26 Oct 2026, 22:07:45 UTC
Sent 26 Oct 2026, 22:07:48 UTC
Report deadline 31 Oct 2026, 22:07:48 UTC
Received 27 Oct 2026, 0:04:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 563109
Run time 1 hours 10 min
CPU time 58 min 7 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,156.89 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 661.61 MB
Peak swap size 2.23 GB
Peak disk usage 3.92 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:57:27 (276): wrapper (7.9.26016): starting
16:57:27 (276): 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
16:57:30 (276): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:57:30 (276): 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
18:04:13 (276): C:/Windows/system32/cmd.exe exited; CPU time 3487.265625
18:04:13 (276): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 43882199 bytes.
Dumping objects ->
{3835251} normal block at 0x000001EE15E36590, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x000001EE15E37320, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000001EE15E36BB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835218} normal block at 0x000001EE15E36520, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x000001EE15E36D00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835176} normal block at 0x000001EE15D4B640, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x000001EE141A2770, 235 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) : {3835162} normal block at 0x000001EE14196CA0, 8 bytes long.
 Data: <  &#178; &#238;   > 00 00 B2 15 EE 01 00 00 
{3834555} normal block at 0x000001EE141A2FC0, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x000001EE14197100, 8 bytes long.
 Data: <pt&#227; &#238;   > 70 74 E3 15 EE 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001EE1419FE20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EE1418A130, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000001EE141A17C0, 16 bytes long.
 Data: < 6  &#238;           > 18 36 1A 14 EE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EE141A1B80, 16 bytes long.
 Data: <&#240;5  &#238;           > F0 35 1A 14 EE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EE1419CCB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000001EE141A19F0, 16 bytes long.
 Data: <&#200;5  &#238;           > C8 35 1A 14 EE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EE141A16D0, 16 bytes long.
 Data: <&#160;5  &#238;           > A0 35 1A 14 EE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EE141A0F50, 16 bytes long.
 Data: <x5  &#238;           > 78 35 1A 14 EE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EE141A15E0, 16 bytes long.
 Data: <P5  &#238;           > 50 35 1A 14 EE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EE1419B280, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000001EE141A1950, 16 bytes long.
 Data: < &#194;  &#238;           > 18 C2 19 14 EE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EE1419CA10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000001EE141A1590, 16 bytes long.
 Data: <&#240;&#193;  &#238;           > F0 C1 19 14 EE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EE141A1270, 16 bytes long.
 Data: <&#200;&#193;  &#238;           > C8 C1 19 14 EE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EE141A1220, 16 bytes long.
 Data: <&#160;&#193;  &#238;           > A0 C1 19 14 EE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EE141A1C20, 16 bytes long.
 Data: <x&#193;  &#238;           > 78 C1 19 14 EE 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EE141A1040, 16 bytes long.
 Data: <P&#193;  &#238;           > 50 C1 19 14 EE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EE141A14F0, 16 bytes long.
 Data: <(&#193;  &#238;           > 28 C1 19 14 EE 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EE1419C830, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{270} normal block at 0x000001EE141A1B30, 16 bytes long.
 Data: < &#193;  &#238;           > 00 C1 19 14 EE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EE1419C100, 320 bytes long.
 Data: <0   &#238;   0&#200;  &#238;   > 30 1B 1A 14 EE 01 00 00 30 C8 19 14 EE 01 00 00 
{268} normal block at 0x000001EE141A12C0, 16 bytes long.
 Data: <05  &#238;           > 30 35 1A 14 EE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EE141A1A40, 16 bytes long.
 Data: < 5  &#238;           > 08 35 1A 14 EE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EE1419D0D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000001EE141A1770, 16 bytes long.
 Data: <&#224;4  &#238;           > E0 34 1A 14 EE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EE1419CB30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000001EE141A1180, 16 bytes long.
 Data: <(4  &#238;           > 28 34 1A 14 EE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EE141A0F00, 16 bytes long.
 Data: < 4  &#238;           > 00 34 1A 14 EE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EE141A0FF0, 16 bytes long.
 Data: <&#216;3  &#238;           > D8 33 1A 14 EE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001EE141A1680, 16 bytes long.
 Data: <&#176;3  &#238;           > B0 33 1A 14 EE 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001EE141A18B0, 16 bytes long.
 Data: < 3  &#238;           > 88 33 1A 14 EE 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001EE141A1AE0, 16 bytes long.
 Data: <`3  &#238;           > 60 33 1A 14 EE 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001EE141A1BD0, 16 bytes long.
 Data: <&#224;&#182;  &#238;           > E0 B6 19 14 EE 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001EE1419B6E0, 40 bytes long.
 Data: <&#208;   &#238;   @&#182;&#212; &#238;   > D0 1B 1A 14 EE 01 00 00 40 B6 D4 15 EE 01 00 00 
{254} normal block at 0x000001EE141A1540, 16 bytes long.
 Data: <@3  &#238;           > 40 33 1A 14 EE 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001EE141A14A0, 16 bytes long.
 Data: < 3  &#238;           > 18 33 1A 14 EE 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001EE1419C4D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000001EE141A0E60, 16 bytes long.
 Data: <&#240;2  &#238;           > F0 32 1A 14 EE 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001EE141A32F0, 992 bytes long.
 Data: <`   &#238;   &#208;&#196;  &#238;   > 60 0E 1A 14 EE 01 00 00 D0 C4 19 14 EE 01 00 00 
{86} normal block at 0x000001EE1419CB90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000001EE14196840, 16 bytes long.
 Data: < &#181;  &#238;           > 90 B5 19 14 EE 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001EE1419B590, 40 bytes long.
 Data: <@h  &#238;    &#203;  &#238;   > 40 68 19 14 EE 01 00 00 90 CB 19 14 EE 01 00 00 
{63} normal block at 0x000001EE14196BB0, 16 bytes long.
 Data: < &#234;&#160;&#232;&#246;           > 80 EA A0 E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EE14196C50, 16 bytes long.
 Data: <@&#233;&#160;&#232;&#246;           > 40 E9 A0 E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001EE14196AC0, 16 bytes long.
 Data: <&#248;W &#232;&#246;           > F8 57 9D E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001EE14196D40, 16 bytes long.
 Data: <&#216;W &#232;&#246;           > D8 57 9D E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001EE141964D0, 16 bytes long.
 Data: <P  &#232;&#246;           > 50 04 9D E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001EE14196890, 16 bytes long.
 Data: <0  &#232;&#246;           > 30 04 9D E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001EE14196B60, 16 bytes long.
 Data: <&#224;  &#232;&#246;           > E0 02 9D E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001EE14197150, 16 bytes long.
 Data: <   &#232;&#246;           > 10 04 9D E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001EE14196C00, 16 bytes long.
 Data: <p  &#232;&#246;           > 70 04 9D E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001EE14196250, 16 bytes long.
 Data: < &#192;&#155;&#232;&#246;           > 18 C0 9B E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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