Task 38675193

Name test_433-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND2747_0
Workunit 31617188
Created 26 Oct 2026, 7:36:08 UTC
Sent 26 Oct 2026, 7:36:14 UTC
Report deadline 31 Oct 2026, 7:36:14 UTC
Received 26 Oct 2026, 8:58:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 527233
Run time 1 hours 2 min 24 sec
CPU time 58 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 684.04 MB
Peak swap size 6.85 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:56:23 (12156): wrapper (7.9.26016): starting
03:56:23 (12156): 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
03:56:25 (12156): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:56:25 (12156): 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\14\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\14\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
04:57:47 (12156): C:/Windows/system32/cmd.exe exited; CPU time 3517.234375
04:57:47 (12156): 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: 46696409 bytes.
Dumping objects ->
{3835219} normal block at 0x0000021DA0C0CB80, 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 0x0000021DA0C0CE90, 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 0x0000021DA0C0CF70, 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 0x0000021DA0C0C950, 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 0x0000021D9F0DB240, 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 0x0000021DA0C552F0, 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 0x0000021DA0C6CBA0, 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 0x0000021D9F0D6980, 8 bytes long.
 Data: <   &#159;    > 00 00 0B 9F 1D 02 00 00 
{3834526} normal block at 0x0000021DA0C6C990, 102 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 0x0000021D9F0D68E0, 8 bytes long.
 Data: <  &#203;&#160;    > 80 1F CB A0 1D 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000021D9F0DFE80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021D9F0C5C70, 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 0x0000021D9F0E1780, 16 bytes long.
 Data: < 6 &#159;            > 08 36 0E 9F 1D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021D9F0E10F0, 16 bytes long.
 Data: <&#224;5 &#159;            > E0 35 0E 9F 1D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021D9F0DD3E0, 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 0x0000021D9F0E1B40, 16 bytes long.
 Data: <&#184;5 &#159;            > B8 35 0E 9F 1D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021D9F0E1A50, 16 bytes long.
 Data: < 5 &#159;            > 90 35 0E 9F 1D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021D9F0E1AF0, 16 bytes long.
 Data: <h5 &#159;            > 68 35 0E 9F 1D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021D9F0E10A0, 16 bytes long.
 Data: <@5 &#159;            > 40 35 0E 9F 1D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021D9F0DB470, 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 0x0000021D9F0E1910, 16 bytes long.
 Data: < \ &#159;            > 08 5C 0C 9F 1D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021D9F0DCEA0, 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 0x0000021D9F0E1320, 16 bytes long.
 Data: <&#224;[ &#159;            > E0 5B 0C 9F 1D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021D9F0E12D0, 16 bytes long.
 Data: <&#184;[ &#159;            > B8 5B 0C 9F 1D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021D9F0E1690, 16 bytes long.
 Data: < [ &#159;            > 90 5B 0C 9F 1D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021D9F0E1050, 16 bytes long.
 Data: <h[ &#159;            > 68 5B 0C 9F 1D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021D9F0E1E10, 16 bytes long.
 Data: <@[ &#159;            > 40 5B 0C 9F 1D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021D9F0E1730, 16 bytes long.
 Data: < [ &#159;            > 18 5B 0C 9F 1D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021D9F0DCD80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000021D9F0E1140, 16 bytes long.
 Data: <&#240;Z &#159;            > F0 5A 0C 9F 1D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021D9F0C5AF0, 320 bytes long.
 Data: <@  &#159;     &#205; &#159;    > 40 11 0E 9F 1D 02 00 00 80 CD 0D 9F 1D 02 00 00 
{268} normal block at 0x0000021D9F0E1DC0, 16 bytes long.
 Data: < 5 &#159;            > 20 35 0E 9F 1D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021D9F0E1C80, 16 bytes long.
 Data: <&#248;4 &#159;            > F8 34 0E 9F 1D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021D9F0DC8A0, 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 0x0000021D9F0E1C30, 16 bytes long.
 Data: <&#208;4 &#159;            > D0 34 0E 9F 1D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021D9F0DC780, 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 0x0000021D9F0E1000, 16 bytes long.
 Data: < 4 &#159;            > 18 34 0E 9F 1D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021D9F0E16E0, 16 bytes long.
 Data: <&#240;3 &#159;            > F0 33 0E 9F 1D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021D9F0E1500, 16 bytes long.
 Data: <&#200;3 &#159;            > C8 33 0E 9F 1D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021D9F0E1640, 16 bytes long.
 Data: <&#160;3 &#159;            > A0 33 0E 9F 1D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021D9F0E1B90, 16 bytes long.
 Data: <x3 &#159;            > 78 33 0E 9F 1D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021D9F0E1E60, 16 bytes long.
 Data: <P3 &#159;            > 50 33 0E 9F 1D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021D9F0E1D70, 16 bytes long.
 Data: < &#179; &#159;            > 90 B3 0D 9F 1D 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000021D9F0DB390, 40 bytes long.
 Data: <p  &#159;    &#240;R&#197;&#160;    > 70 1D 0E 9F 1D 02 00 00 F0 52 C5 A0 1D 02 00 00 
{254} normal block at 0x0000021D9F0E1280, 16 bytes long.
 Data: <03 &#159;            > 30 33 0E 9F 1D 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000021D9F0E0F60, 16 bytes long.
 Data: < 3 &#159;            > 08 33 0E 9F 1D 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000021D9F0DD320, 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 0x0000021D9F0E1230, 16 bytes long.
 Data: <&#224;2 &#159;            > E0 32 0E 9F 1D 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000021D9F0E32E0, 992 bytes long.
 Data: <0  &#159;     &#211; &#159;    > 30 12 0E 9F 1D 02 00 00 20 D3 0D 9F 1D 02 00 00 
{86} normal block at 0x0000021D9F0DC5A0, 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 0x0000021D9F0D6340, 16 bytes long.
 Data: <&#192;&#181; &#159;            > C0 B5 0D 9F 1D 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000021D9F0DB5C0, 40 bytes long.
 Data: <@c &#159;    &#160;&#197; &#159;    > 40 63 0D 9F 1D 02 00 00 A0 C5 0D 9F 1D 02 00 00 
{63} normal block at 0x0000021D9F0D6A20, 16 bytes long.
 Data: < &#234;&#163;&#201;&#247;           > 80 EA A3 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021D9F0D6BB0, 16 bytes long.
 Data: <@&#233;&#163;&#201;&#247;           > 40 E9 A3 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021D9F0D6D90, 16 bytes long.
 Data: <&#248;W&#160;&#201;&#247;           > F8 57 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021D9F0D6D40, 16 bytes long.
 Data: <&#216;W&#160;&#201;&#247;           > D8 57 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021D9F0D6750, 16 bytes long.
 Data: <P &#160;&#201;&#247;           > 50 04 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000021D9F0D6390, 16 bytes long.
 Data: <0 &#160;&#201;&#247;           > 30 04 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000021D9F0D66B0, 16 bytes long.
 Data: <&#224; &#160;&#201;&#247;           > E0 02 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000021D9F0D70B0, 16 bytes long.
 Data: <  &#160;&#201;&#247;           > 10 04 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000021D9F0D6660, 16 bytes long.
 Data: <p &#160;&#201;&#247;           > 70 04 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000021D9F0D65C0, 16 bytes long.
 Data: < &#192;&#158;&#201;&#247;           > 18 C0 9E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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