Task 38680301

Name	test_494-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND5420_0
Workunit	31622027
Created	26 Oct 2026, 23:29:36 UTC
Sent	26 Oct 2026, 23:29:51 UTC
Report deadline	31 Oct 2026, 23:29:51 UTC
Received	26 Oct 2026, 23:51:09 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	646979
Run time	20 min 11 sec
CPU time	17 min 38 sec
Validate state	Valid
Credit	60,000.00
Device peak FLOPS	83,070.51 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	757.52 MB
Peak swap size	10.06 GB
Peak disk usage	3.03 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:31:22 (23896): wrapper (7.9.26016): starting
08:31:22 (23896): 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
08:31:23 (23896): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:31:23 (23896): 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\25\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\25\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
08:50:46 (23896): C:/Windows/system32/cmd.exe exited; CPU time 1058.703125
08:50:46 (23896): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 22768713 bytes.
Dumping objects ->
{3835586} normal block at 0x000001FD5246D1B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835575} normal block at 0x000001FD5246CA40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835564} normal block at 0x000001FD503E4EE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835553} normal block at 0x000001FD503E4A80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835542} normal block at 0x000001FD503E4B60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835511} normal block at 0x000001FD524B5D30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835500} normal block at 0x000001FD524CD710, 100 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) : {3835497} normal block at 0x000001FD503E0610, 8 bytes long.
 Data: <   P    > 00 00 95 50 FD 01 00 00 
{3834771} normal block at 0x000001FD524CC270, 100 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834061} normal block at 0x000001FD503E0570, 8 bytes long.
 Data: <&#208;HQR    > D0 48 51 52 FD 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001FD503DD920, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001FD503D6840, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001FD503E5C90, 16 bytes long.
 Data: <hY>P            > 68 59 3E 50 FD 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001FD503E5BF0, 16 bytes long.
 Data: <@Y>P            > 40 59 3E 50 FD 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001FD503DEB60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001FD503E60F0, 16 bytes long.
 Data: < Y>P            > 18 59 3E 50 FD 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001FD503E6140, 16 bytes long.
 Data: < X>P            > F0 58 3E 50 FD 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FD503E6460, 16 bytes long.
 Data: <&#200;X>P            > C8 58 3E 50 FD 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FD503E62D0, 16 bytes long.
 Data: < X>P            > A0 58 3E 50 FD 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FD503E50A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001FD503E65A0, 16 bytes long.
 Data: <8 <P            > 38 EB 3C 50 FD 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FD503DF0A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001FD503E6050, 16 bytes long.
 Data: <  <P            > 10 EB 3C 50 FD 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FD503E6280, 16 bytes long.
 Data: <  <P            > E8 EA 3C 50 FD 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FD503E5FB0, 16 bytes long.
 Data: <&#192; <P            > C0 EA 3C 50 FD 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FD503E6230, 16 bytes long.
 Data: <  <P            > 98 EA 3C 50 FD 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FD503E5C40, 16 bytes long.
 Data: <p <P            > 70 EA 3C 50 FD 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FD503E5D30, 16 bytes long.
 Data: <H <P            > 48 EA 3C 50 FD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FD503DF2E0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{279} normal block at 0x000001FD503E5D80, 16 bytes long.
 Data: <  <P            > 20 EA 3C 50 FD 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FD503CEA20, 320 bytes long.
 Data: < ]>P      =P    > 80 5D 3E 50 FD 01 00 00 E0 F2 3D 50 FD 01 00 00 
{277} normal block at 0x000001FD503E5CE0, 16 bytes long.
 Data: < X>P            > 80 58 3E 50 FD 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FD503E65F0, 16 bytes long.
 Data: <XX>P            > 58 58 3E 50 FD 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FD503DF1C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001FD503E64B0, 16 bytes long.
 Data: <0X>P            > 30 58 3E 50 FD 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FD503DF160, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001FD503E5AB0, 16 bytes long.
 Data: <xW>P            > 78 57 3E 50 FD 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FD503E6000, 16 bytes long.
 Data: <PW>P            > 50 57 3E 50 FD 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FD503E60A0, 16 bytes long.
 Data: <(W>P            > 28 57 3E 50 FD 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FD503E6320, 16 bytes long.
 Data: < W>P            > 00 57 3E 50 FD 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FD503E5BA0, 16 bytes long.
 Data: <&#216;V>P            > D8 56 3E 50 FD 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FD503E06B0, 16 bytes long.
 Data: <&#176;V>P            > B0 56 3E 50 FD 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FD503E05C0, 16 bytes long.
 Data: <0P>P            > 30 50 3E 50 FD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FD503E5030, 40 bytes long.
 Data: <&#192; >P    0]KR    > C0 05 3E 50 FD 01 00 00 30 5D 4B 52 FD 01 00 00 
{263} normal block at 0x000001FD503E0520, 16 bytes long.
 Data: < V>P            > 90 56 3E 50 FD 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FD503DFD00, 16 bytes long.
 Data: <hV>P            > 68 56 3E 50 FD 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FD503DF520, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001FD503E0020, 16 bytes long.
 Data: <@V>P            > 40 56 3E 50 FD 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FD503E5640, 992 bytes long.
 Data: <  >P      =P    > 20 00 3E 50 FD 01 00 00 20 F5 3D 50 FD 01 00 00 
{95} normal block at 0x000001FD503DF280, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001FD503E08E0, 16 bytes long.
 Data: <  =P            > 10 9E 3D 50 FD 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001FD503D9E10, 40 bytes long.
 Data: <  >P      =P    > E0 08 3E 50 FD 01 00 00 80 F2 3D 50 FD 01 00 00 
{70} normal block at 0x000001FD503E04D0, 16 bytes long.
 Data: <                > 80 EA E9 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001FD503DFDF0, 16 bytes long.
 Data: <@               > 40 E9 E9 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FD503DFC10, 16 bytes long.
 Data: < W              > F8 57 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FD503E0A20, 16 bytes long.
 Data: <&#216;W              > D8 57 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FD503DFF30, 16 bytes long.
 Data: <P               > 50 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FD503DFD50, 16 bytes long.
 Data: <0               > 30 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FD503E09D0, 16 bytes long.
 Data: <                > E0 02 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FD503E0070, 16 bytes long.
 Data: <                > 10 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FD503DFEE0, 16 bytes long.
 Data: <p               > 70 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FD503E0430, 16 bytes long.
 Data: < &#192;              > 18 C0 E4 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>