Task 38680809

Name	test_281-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND4185_0
Workunit	31622509
Created	27 Oct 2026, 1:36:08 UTC
Sent	27 Oct 2026, 1:36:20 UTC
Report deadline	1 Nov 2026, 1:36:20 UTC
Received	27 Oct 2026, 1:53:47 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	646979
Run time	16 min 13 sec
CPU time	13 min 13 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	758.73 MB
Peak swap size	10.17 GB
Peak disk usage	3.03 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:37:38 (27988): wrapper (7.9.26016): starting
10:37:38 (27988): 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
10:37:39 (27988): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:37:39 (27988): 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\22\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\22\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: Exiting with failure status due to previous errors
10:53:11 (27988): C:/Windows/system32/cmd.exe exited; CPU time 793.984375
10:53:11 (27988): 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: 18445581 bytes.
Dumping objects ->
{3835586} normal block at 0x0000021D6A03CF90, 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 0x0000021D6A03D070, 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 0x0000021D67F55190, 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 0x0000021D67F55120, 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 0x0000021D67F54CC0, 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 0x0000021D6A08A1F0, 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 0x0000021D6A09C3B0, 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 0x0000021D67F50220, 8 bytes long.
 Data: <  >h    > 00 00 3E 68 1D 02 00 00 
{3834771} normal block at 0x0000021D6A09C630, 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 0x0000021D67F503B0, 8 bytes long.
 Data: < &#162; g    > 20 A2 F7 67 1D 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000021D67F51320, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000021D67F3EA50, 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 0x0000021D67F55FD0, 16 bytes long.
 Data: <&#168;W g            > A8 57 F5 67 1D 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021D67F562A0, 16 bytes long.
 Data: < W g            > 80 57 F5 67 1D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021D67F4F620, 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 0x0000021D67F56250, 16 bytes long.
 Data: <XW g            > 58 57 F5 67 1D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021D67F55A30, 16 bytes long.
 Data: <0W g            > 30 57 F5 67 1D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021D67F563E0, 16 bytes long.
 Data: < W g            > 08 57 F5 67 1D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021D67F55D50, 16 bytes long.
 Data: < V g            > E0 56 F5 67 1D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021D67F54F60, 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 0x0000021D67F55C10, 16 bytes long.
 Data: <&#168;  g            > A8 03 F4 67 1D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021D67F4F740, 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 0x0000021D67F55BC0, 16 bytes long.
 Data: <   g            > 80 03 F4 67 1D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021D67F55F80, 16 bytes long.
 Data: <X  g            > 58 03 F4 67 1D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021D67F55EE0, 16 bytes long.
 Data: <0  g            > 30 03 F4 67 1D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021D67F56340, 16 bytes long.
 Data: <   g            > 08 03 F4 67 1D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021D67F56840, 16 bytes long.
 Data: <   g            > E0 02 F4 67 1D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021D67F561B0, 16 bytes long.
 Data: <&#184;  g            > B8 02 F4 67 1D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021D67F4F140, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000021D67F567A0, 16 bytes long.
 Data: <   g            > 90 02 F4 67 1D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021D67F40290, 320 bytes long.
 Data: < g g    @  g    > A0 67 F5 67 1D 02 00 00 40 F1 F4 67 1D 02 00 00 
{277} normal block at 0x0000021D67F55B70, 16 bytes long.
 Data: <&#192;V g            > C0 56 F5 67 1D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021D67F56160, 16 bytes long.
 Data: < V g            > 98 56 F5 67 1D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021D67F4F5C0, 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 0x0000021D67F564D0, 16 bytes long.
 Data: <pV g            > 70 56 F5 67 1D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021D67F4F320, 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 0x0000021D67F55E90, 16 bytes long.
 Data: <&#184;U g            > B8 55 F5 67 1D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021D67F558F0, 16 bytes long.
 Data: < U g            > 90 55 F5 67 1D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021D67F56200, 16 bytes long.
 Data: <hU g            > 68 55 F5 67 1D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021D67F56110, 16 bytes long.
 Data: <@U g            > 40 55 F5 67 1D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021D67F55DA0, 16 bytes long.
 Data: < U g            > 18 55 F5 67 1D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021D67F4FFA0, 16 bytes long.
 Data: < T g            > F0 54 F5 67 1D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021D67F4FF50, 16 bytes long.
 Data: < M g            > A0 4D F5 67 1D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021D67F54DA0, 40 bytes long.
 Data: <P  g     &#161; j    > 50 FF F4 67 1D 02 00 00 F0 A1 08 6A 1D 02 00 00 
{263} normal block at 0x0000021D67F4FE10, 16 bytes long.
 Data: <&#208;T g            > D0 54 F5 67 1D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021D67F4FD20, 16 bytes long.
 Data: <&#168;T g            > A8 54 F5 67 1D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021D67F4F1A0, 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 0x0000021D67F50810, 16 bytes long.
 Data: < T g            > 80 54 F5 67 1D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021D67F55480, 992 bytes long.
 Data: <   g       g    > 10 08 F5 67 1D 02 00 00 A0 F1 F4 67 1D 02 00 00 
{95} normal block at 0x0000021D67F4F6E0, 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 0x0000021D67F507C0, 16 bytes long.
 Data: <   g            > 00 F6 F3 67 1D 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000021D67F3F600, 40 bytes long.
 Data: <&#192;  g       g    > C0 07 F5 67 1D 02 00 00 E0 F6 F4 67 1D 02 00 00 
{70} normal block at 0x0000021D67F4FD70, 16 bytes long.
 Data: <                > 80 EA E9 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021D67F4FF00, 16 bytes long.
 Data: <@               > 40 E9 E9 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021D67F4F910, 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 0x0000021D67F50310, 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 0x0000021D67F4FBE0, 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 0x0000021D67F50180, 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 0x0000021D67F4FA00, 16 bytes long.
 Data: <                > E0 02 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021D67F50360, 16 bytes long.
 Data: <                > 10 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021D67F4FB90, 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 0x0000021D67F504A0, 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>
]]>