Task 38670114

Name test_632-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND3671_1
Workunit 31612366
Created 25 Oct 2026, 16:31:40 UTC
Sent 25 Oct 2026, 16:31:58 UTC
Report deadline 30 Oct 2026, 16:31:58 UTC
Received 25 Oct 2026, 19:09:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651945
Run time 38 min 31 sec
CPU time 35 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,346.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 709.71 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>
14:32:48 (24852): wrapper (7.9.26016): starting
14:32:48 (24852): 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
14:32:50 (24852): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:32:50 (24852): 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\21\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\21\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
15:09:24 (24852): C:/Windows/system32/cmd.exe exited; CPU time 2111.437500
15:09:24 (24852): 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: 39999907 bytes.
Dumping objects ->
{3835262} normal block at 0x0000010DEFD6C650, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835251} normal block at 0x0000010DEFD6CEA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x0000010DEFD6C5E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835229} normal block at 0x0000010DEE054680, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x0000010DEE054610, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835187} normal block at 0x0000010DEFDB7610, 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) : {3835174} normal block at 0x0000010DEE04EB30, 8 bytes long.
 Data: <  E&#238;    > 00 00 45 EE 0D 01 00 00 
{3833959} normal block at 0x0000010DEE04F1C0, 8 bytes long.
 Data: < &#167; &#238;    > 10 A7 07 EE 0D 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000010DEE0510F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000010DEE0464C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000010DEE055640, 16 bytes long.
 Data: <&#248;T &#238;            > F8 54 05 EE 0D 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000010DEE055FA0, 16 bytes long.
 Data: <&#208;T &#238;            > D0 54 05 EE 0D 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000010DEE04F740, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000010DEE0563B0, 16 bytes long.
 Data: <&#168;T &#238;            > A8 54 05 EE 0D 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000010DEE055F50, 16 bytes long.
 Data: < T &#238;            > 80 54 05 EE 0D 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000010DEE055A00, 16 bytes long.
 Data: <XT &#238;            > 58 54 05 EE 0D 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000010DEE055F00, 16 bytes long.
 Data: <0T &#238;            > 30 54 05 EE 0D 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000010DEE054A70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000010DEE0559B0, 16 bytes long.
 Data: <h  &#238;            > 68 8F 04 EE 0D 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000010DEE04FC20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000010DEE056220, 16 bytes long.
 Data: <@  &#238;            > 40 8F 04 EE 0D 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000010DEE055C30, 16 bytes long.
 Data: <   &#238;            > 18 8F 04 EE 0D 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000010DEE0560E0, 16 bytes long.
 Data: <&#240;&#142; &#238;            > F0 8E 04 EE 0D 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000010DEE055690, 16 bytes long.
 Data: <&#200;&#142; &#238;            > C8 8E 04 EE 0D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000010DEE055960, 16 bytes long.
 Data: <&#160;&#142; &#238;            > A0 8E 04 EE 0D 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000010DEE056040, 16 bytes long.
 Data: <x&#142; &#238;            > 78 8E 04 EE 0D 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000010DEE0500A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000010DEE055CD0, 16 bytes long.
 Data: <P&#142; &#238;            > 50 8E 04 EE 0D 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000010DEE048E50, 320 bytes long.
 Data: <&#208;\ &#238;    &#160;  &#238;    > D0 5C 05 EE 0D 01 00 00 A0 00 05 EE 0D 01 00 00 
{275} normal block at 0x0000010DEE055DC0, 16 bytes long.
 Data: < T &#238;            > 10 54 05 EE 0D 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000010DEE055EB0, 16 bytes long.
 Data: <&#232;S &#238;            > E8 53 05 EE 0D 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000010DEE04F800, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000010DEE055E60, 16 bytes long.
 Data: <&#192;S &#238;            > C0 53 05 EE 0D 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000010DEE0501C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000010DEE055910, 16 bytes long.
 Data: < S &#238;            > 08 53 05 EE 0D 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000010DEE055870, 16 bytes long.
 Data: <&#224;R &#238;            > E0 52 05 EE 0D 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000010DEE0558C0, 16 bytes long.
 Data: <&#184;R &#238;            > B8 52 05 EE 0D 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000010DEE056090, 16 bytes long.
 Data: < R &#238;            > 90 52 05 EE 0D 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000010DEE055B90, 16 bytes long.
 Data: <hR &#238;            > 68 52 05 EE 0D 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000010DEE04EA90, 16 bytes long.
 Data: <@R &#238;            > 40 52 05 EE 0D 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000010DEE04EA40, 16 bytes long.
 Data: <@H &#238;            > 40 48 05 EE 0D 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000010DEE054840, 40 bytes long.
 Data: <@&#234; &#238;     v&#219;&#239;    > 40 EA 04 EE 0D 01 00 00 10 76 DB EF 0D 01 00 00 
{261} normal block at 0x0000010DEE04E900, 16 bytes long.
 Data: < R &#238;            > 20 52 05 EE 0D 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000010DEE04E720, 16 bytes long.
 Data: <&#248;Q &#238;            > F8 51 05 EE 0D 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000010DEE04FE60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000010DEE04F440, 16 bytes long.
 Data: <&#208;Q &#238;            > D0 51 05 EE 0D 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000010DEE0551D0, 992 bytes long.
 Data: <@&#244; &#238;    `&#254; &#238;    > 40 F4 04 EE 0D 01 00 00 60 FE 04 EE 0D 01 00 00 
{93} normal block at 0x0000010DEE04FBC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000010DEE04ECC0, 16 bytes long.
 Data: <0L &#238;            > 30 4C 05 EE 0D 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000010DEE054C30, 40 bytes long.
 Data: <&#192;&#236; &#238;    &#192;&#251; &#238;    > C0 EC 04 EE 0D 01 00 00 C0 FB 04 EE 0D 01 00 00 
{70} normal block at 0x0000010DEE04EAE0, 16 bytes long.
 Data: < &#234;&#227; &#246;           > 80 EA E3 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000010DEE04EEA0, 16 bytes long.
 Data: <@&#233;&#227; &#246;           > 40 E9 E3 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000010DEE04F0D0, 16 bytes long.
 Data: <&#248;W&#224; &#246;           > F8 57 E0 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000010DEE04EC70, 16 bytes long.
 Data: <&#216;W&#224; &#246;           > D8 57 E0 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000010DEE04F170, 16 bytes long.
 Data: <P &#224; &#246;           > 50 04 E0 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000010DEE04E770, 16 bytes long.
 Data: <0 &#224; &#246;           > 30 04 E0 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000010DEE04F030, 16 bytes long.
 Data: <&#224; &#224; &#246;           > E0 02 E0 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000010DEE04E950, 16 bytes long.
 Data: <  &#224; &#246;           > 10 04 E0 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000010DEE04ED10, 16 bytes long.
 Data: <p &#224; &#246;           > 70 04 E0 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000010DEE04F530, 16 bytes long.
 Data: < &#192;&#222; &#246;           > 18 C0 DE 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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