Task 38682394

Name	test_372-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND5678_0
Workunit	31624010
Created	27 Oct 2026, 7:39:30 UTC
Sent	27 Oct 2026, 7:39:38 UTC
Report deadline	1 Nov 2026, 7:39:38 UTC
Received	27 Oct 2026, 8:17:23 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	619953
Run time	36 min 46 sec
CPU time	32 min 16 sec
Validate state	Valid
Credit	60,000.00
Device peak FLOPS	29,149.23 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	729.88 MB
Peak swap size	5.41 GB
Peak disk usage	3.02 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:41:33 (2152): wrapper (7.9.26016): starting
16:41:33 (2152): 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
16:41:35 (2152): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:41:35 (2152): 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 'E:\BoincData\slots\12\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 'E:\BoincData\slots\12\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
17:16:56 (2152): C:/Windows/system32/cmd.exe exited; CPU time 1936.000000
17:16:56 (2152): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 47626967 bytes.
Dumping objects ->
{3835399} normal block at 0x0000023D7F586CE0, 48 bytes long.
 Data: <PATH=E:\BoincDat> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{3835388} normal block at 0x0000023D01643460, 32 bytes long.
 Data: <HOME=E:\BoincDat> 48 4F 4D 45 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{3835377} normal block at 0x0000023D01643CA0, 32 bytes long.
 Data: <TMP=E:\BoincData> 54 4D 50 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 61 
{3835366} normal block at 0x0000023D01643820, 32 bytes long.
 Data: <TEMP=E:\BoincDat> 54 45 4D 50 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{3835355} normal block at 0x0000023D01642E60, 32 bytes long.
 Data: <TMPDIR=E:\BoincD> 54 4D 50 44 49 52 3D 45 3A 5C 42 6F 69 6E 63 44 
{3835324} normal block at 0x0000023D7F5869D0, 48 bytes long.
 Data: <PATH=E:\BoincDat> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{3835313} normal block at 0x0000023D016101C0, 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) : {3835310} normal block at 0x0000023D7F57E880, 8 bytes long.
 Data: <  &#169; =   > 00 00 A9 7F 3D 02 00 00 
{3834688} normal block at 0x0000023D01610320, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834077} normal block at 0x0000023D7F57F460, 8 bytes long.
 Data: <P P =   > 50 E1 50 01 3D 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000023D7F5823F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000023D7F577210, 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 0x0000023D7F587620, 16 bytes long.
 Data: <( X =           > 28 88 58 7F 3D 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000023D7F587580, 16 bytes long.
 Data: <  X =           > 00 88 58 7F 3D 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000023D7F582020, 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 0x0000023D7F5880C0, 16 bytes long.
 Data: <&#216; X =           > D8 87 58 7F 3D 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000023D7F587800, 16 bytes long.
 Data: <&#176; X =           > B0 87 58 7F 3D 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000023D7F5877B0, 16 bytes long.
 Data: <  X =           > 88 87 58 7F 3D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023D7F5874E0, 16 bytes long.
 Data: <` X =           > 60 87 58 7F 3D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023D7F586650, 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 0x0000023D7F588160, 16 bytes long.
 Data: <  X =           > 88 10 58 7F 3D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023D7F581F60, 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 0x0000023D7F5875D0, 16 bytes long.
 Data: <` X =           > 60 10 58 7F 3D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023D7F587C60, 16 bytes long.
 Data: <8 X =           > 38 10 58 7F 3D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023D7F587FD0, 16 bytes long.
 Data: <  X =           > 10 10 58 7F 3D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023D7F587AD0, 16 bytes long.
 Data: <  X =           > E8 0F 58 7F 3D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023D7F587A80, 16 bytes long.
 Data: <&#192; X =           > C0 0F 58 7F 3D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023D7F587C10, 16 bytes long.
 Data: <  X =           > 98 0F 58 7F 3D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023D7F581540, 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 0x0000023D7F587F30, 16 bytes long.
 Data: <p X =           > 70 0F 58 7F 3D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023D7F580F70, 320 bytes long.
 Data: <0 X =   @ X =   > 30 7F 58 7F 3D 02 00 00 40 15 58 7F 3D 02 00 00 
{281} normal block at 0x0000023D7F587EE0, 16 bytes long.
 Data: <@ X =           > 40 87 58 7F 3D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023D7F5873A0, 16 bytes long.
 Data: <  X =           > 18 87 58 7F 3D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023D7F581F00, 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 0x0000023D7F588070, 16 bytes long.
 Data: <  X =           > F0 86 58 7F 3D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023D7F5814E0, 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 0x0000023D7F587350, 16 bytes long.
 Data: <8 X =           > 38 86 58 7F 3D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023D7F587490, 16 bytes long.
 Data: <  X =           > 10 86 58 7F 3D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023D7F587710, 16 bytes long.
 Data: <  X =           > E8 85 58 7F 3D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023D7F588110, 16 bytes long.
 Data: <&#192; X =           > C0 85 58 7F 3D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023D7F587300, 16 bytes long.
 Data: <  X =           > 98 85 58 7F 3D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023D7F587DF0, 16 bytes long.
 Data: <p X =           > 70 85 58 7F 3D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023D7F587530, 16 bytes long.
 Data: <@jX =           > 40 6A 58 7F 3D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023D7F586A40, 40 bytes long.
 Data: <0uX =   &#208;iX =   > 30 75 58 7F 3D 02 00 00 D0 69 58 7F 3D 02 00 00 
{267} normal block at 0x0000023D7F5872B0, 16 bytes long.
 Data: <P X =           > 50 85 58 7F 3D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023D7F5876C0, 16 bytes long.
 Data: <( X =           > 28 85 58 7F 3D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023D7F581660, 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 0x0000023D7F587670, 16 bytes long.
 Data: <  X =           > 00 85 58 7F 3D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023D7F588500, 992 bytes long.
 Data: <pvX =   ` X =   > 70 76 58 7F 3D 02 00 00 60 16 58 7F 3D 02 00 00 
{99} normal block at 0x0000023D7F581420, 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 0x0000023D7F57ECE0, 16 bytes long.
 Data: <&#208;&#195;V =           > D0 C3 56 7F 3D 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x0000023D7F56C3D0, 40 bytes long.
 Data: <  W =     X =   > E0 EC 57 7F 3D 02 00 00 20 14 58 7F 3D 02 00 00 
{74} normal block at 0x0000023D7F57EC90, 16 bytes long.
 Data: <                > 80 EA F7 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000023D7F57EC40, 16 bytes long.
 Data: <@               > 40 E9 F7 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000023D7F57E920, 16 bytes long.
 Data: < W              > F8 57 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000023D7F57E740, 16 bytes long.
 Data: <&#216;W              > D8 57 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000023D7F57F550, 16 bytes long.
 Data: <P               > 50 04 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023D7F57F320, 16 bytes long.
 Data: <0               > 30 04 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023D7F57EA60, 16 bytes long.
 Data: <                > E0 02 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023D7F57EE70, 16 bytes long.
 Data: <                > 10 04 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023D7F57EF60, 16 bytes long.
 Data: <p               > 70 04 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023D7F57F410, 16 bytes long.
 Data: < &#192;              > 18 C0 F2 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>