Task 38681065

Name	test_149-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND3600_1
Workunit	31622617
Created	27 Oct 2026, 2:28:59 UTC
Sent	27 Oct 2026, 2:29:07 UTC
Report deadline	1 Nov 2026, 2:29:07 UTC
Received	27 Oct 2026, 3:54:12 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	610949
Run time	28 min 43 sec
CPU time	26 min 55 sec
Validate state	Valid
Credit	60,000.00
Device peak FLOPS	20,317.22 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	720.02 MB
Peak swap size	9.93 GB
Peak disk usage	3.03 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:25:26 (37952): wrapper (7.9.26016): starting
12:25:26 (37952): 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
12:25:27 (37952): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:25:27 (37952): 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\1\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\1\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
12:53:32 (37952): C:/Windows/system32/cmd.exe exited; CPU time 1615.171875
12:53:32 (37952): 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: 38605367 bytes.
Dumping objects ->
{3835380} normal block at 0x000002962E4A23A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835369} normal block at 0x000002962E4A25D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835358} normal block at 0x000002962E4A2950, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835347} normal block at 0x000002962E4A29C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835336} normal block at 0x000002962E4A2330, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835305} normal block at 0x0000029631D63E50, 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) : {3835292} normal block at 0x000002962E49F6A0, 8 bytes long.
 Data: <   /    > 00 00 FD 2F 96 02 00 00 
{3834077} normal block at 0x000002962E49F100, 8 bytes long.
 Data: <   1    > A0 85 EC 31 96 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000002962E48EC00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002962E47F440, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000002962E49F2E0, 16 bytes long.
 Data: <  I.            > 08 EB 49 2E 96 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002962E49F470, 16 bytes long.
 Data: <  I.            > E0 EA 49 2E 96 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002962E4960B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000002962E49FBA0, 16 bytes long.
 Data: <&#184; I.            > B8 EA 49 2E 96 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002962E49EC50, 16 bytes long.
 Data: <  I.            > 90 EA 49 2E 96 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002962E499960, 16 bytes long.
 Data: <h I.            > 68 EA 49 2E 96 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002962E49A810, 16 bytes long.
 Data: <@ I.            > 40 EA 49 2E 96 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002962E4986C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000002962E49A590, 16 bytes long.
 Data: <h I.            > 68 7F 49 2E 96 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002962E4966B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000002962E49A6D0, 16 bytes long.
 Data: <@ I.            > 40 7F 49 2E 96 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002962E49A450, 16 bytes long.
 Data: <  I.            > 18 7F 49 2E 96 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002962E499B40, 16 bytes long.
 Data: < ~I.            > F0 7E 49 2E 96 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002962E49A7C0, 16 bytes long.
 Data: <&#200;~I.            > C8 7E 49 2E 96 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002962E499E10, 16 bytes long.
 Data: < ~I.            > A0 7E 49 2E 96 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002962E49A770, 16 bytes long.
 Data: <x~I.            > 78 7E 49 2E 96 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002962E495C90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000002962E49A040, 16 bytes long.
 Data: <P~I.            > 50 7E 49 2E 96 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002962E497E50, 320 bytes long.
 Data: <@ I.     \I.    > 40 A0 49 2E 96 02 00 00 90 5C 49 2E 96 02 00 00 
{281} normal block at 0x000002962E499DC0, 16 bytes long.
 Data: <  I.            > 20 EA 49 2E 96 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002962E49A860, 16 bytes long.
 Data: <  I.            > F8 E9 49 2E 96 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002962E4963B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000002962E499C80, 16 bytes long.
 Data: <&#208; I.            > D0 E9 49 2E 96 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002962E495F90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000002962E49A680, 16 bytes long.
 Data: <  I.            > 18 E9 49 2E 96 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002962E49A5E0, 16 bytes long.
 Data: <  I.            > F0 E8 49 2E 96 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002962E49A630, 16 bytes long.
 Data: <&#200; I.            > C8 E8 49 2E 96 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002962E49A540, 16 bytes long.
 Data: <  I.            > A0 E8 49 2E 96 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002962E49A220, 16 bytes long.
 Data: <x I.            > 78 E8 49 2E 96 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002962E49A4F0, 16 bytes long.
 Data: <P I.            > 50 E8 49 2E 96 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002962E49A4A0, 16 bytes long.
 Data: <  I.            > 20 84 49 2E 96 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002962E498420, 40 bytes long.
 Data: < &#164;I.    P>&#214;1    > A0 A4 49 2E 96 02 00 00 50 3E D6 31 96 02 00 00 
{267} normal block at 0x000002962E49A090, 16 bytes long.
 Data: <0 I.            > 30 E8 49 2E 96 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002962E499B90, 16 bytes long.
 Data: <  I.            > 08 E8 49 2E 96 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002962E495F30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000002962E499FF0, 16 bytes long.
 Data: <  I.            > E0 E7 49 2E 96 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002962E49E7E0, 992 bytes long.
 Data: <  I.    0_I.    > F0 9F 49 2E 96 02 00 00 30 5F 49 2E 96 02 00 00 
{99} normal block at 0x000002962E4961D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000002962E49A360, 16 bytes long.
 Data: <  I.            > F0 81 49 2E 96 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000002962E4981F0, 40 bytes long.
 Data: <`&#163;I.    &#208;aI.    > 60 A3 49 2E 96 02 00 00 D0 61 49 2E 96 02 00 00 
{74} normal block at 0x000002962E49A0E0, 16 bytes long.
 Data: <   m            > 80 EA EF 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002962E49A180, 16 bytes long.
 Data: <@  m            > 40 E9 EF 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002962E499AA0, 16 bytes long.
 Data: < W m            > F8 57 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002962E499C30, 16 bytes long.
 Data: <&#216;W m            > D8 57 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002962E499EB0, 16 bytes long.
 Data: <P  m            > 50 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002962E499BE0, 16 bytes long.
 Data: <0  m            > 30 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002962E48B370, 16 bytes long.
 Data: <   m            > E0 02 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002962E48B690, 16 bytes long.
 Data: <   m            > 10 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002962E48BB90, 16 bytes long.
 Data: <p  m            > 70 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002962E48B4B0, 16 bytes long.
 Data: < &#192; m            > 18 C0 EA 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>