Task 38682020

Name	test_775-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND7476_0
Workunit	31623657
Created	27 Oct 2026, 6:15:44 UTC
Sent	27 Oct 2026, 6:15:59 UTC
Report deadline	1 Nov 2026, 6:15:59 UTC
Received	27 Oct 2026, 6:47:47 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	619953
Run time	30 min 57 sec
CPU time	27 min 29 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	726.50 MB
Peak swap size	5.41 GB
Peak disk usage	3.03 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:17:43 (31332): wrapper (7.9.26016): starting
15:17:43 (31332): 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
15:17:44 (31332): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:17:44 (31332): 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: Exiting with failure status due to previous errors
15:47:20 (31332): C:/Windows/system32/cmd.exe exited; CPU time 1649.796875
15:47:20 (31332): 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: 39205105 bytes.
Dumping objects ->
{3835399} normal block at 0x000002517D6D6A00, 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 0x000002517F738130, 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 0x000002517F736FF0, 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 0x000002517F737650, 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 0x000002517F737E30, 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 0x000002517D6D65A0, 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 0x000002517F6FFE00, 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 0x000002517D6CE760, 8 bytes long.
 Data: <  &#172;}Q   > 00 00 AC 7D 51 02 00 00 
{3834688} normal block at 0x000002517F7000C0, 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 0x000002517D6CEF30, 8 bytes long.
 Data: <&#176; o Q   > B0 F2 6F 7F 51 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000002517D6D23F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002517D6BF540, 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 0x000002517D6D7040, 16 bytes long.
 Data: <&#216; m}Q           > D8 82 6D 7D 51 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002517D6D7EA0, 16 bytes long.
 Data: <&#176; m}Q           > B0 82 6D 7D 51 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002517D6D13E0, 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 0x000002517D6D7D10, 16 bytes long.
 Data: <  m}Q           > 88 82 6D 7D 51 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002517D6D7CC0, 16 bytes long.
 Data: <` m}Q           > 60 82 6D 7D 51 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002517D6D7C70, 16 bytes long.
 Data: <8 m}Q           > 38 82 6D 7D 51 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002517D6D7950, 16 bytes long.
 Data: <  m}Q           > 10 82 6D 7D 51 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002517D6D63E0, 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 0x000002517D6D7900, 16 bytes long.
 Data: <&#216; l}Q           > D8 03 6C 7D 51 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002517D6D1A40, 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 0x000002517D6D7C20, 16 bytes long.
 Data: <&#176; l}Q           > B0 03 6C 7D 51 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002517D6D7BD0, 16 bytes long.
 Data: <  l}Q           > 88 03 6C 7D 51 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002517D6D7180, 16 bytes long.
 Data: <` l}Q           > 60 03 6C 7D 51 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002517D6D78B0, 16 bytes long.
 Data: <8 l}Q           > 38 03 6C 7D 51 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002517D6D74A0, 16 bytes long.
 Data: <  l}Q           > 10 03 6C 7D 51 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002517D6D7E00, 16 bytes long.
 Data: <  l}Q           > E8 02 6C 7D 51 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002517D6D1E60, 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 0x000002517D6D7E50, 16 bytes long.
 Data: <&#192; l}Q           > C0 02 6C 7D 51 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002517D6C02C0, 320 bytes long.
 Data: <P~m}Q   ` m}Q   > 50 7E 6D 7D 51 02 00 00 60 1E 6D 7D 51 02 00 00 
{281} normal block at 0x000002517D6D7AE0, 16 bytes long.
 Data: <  m}Q           > F0 81 6D 7D 51 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002517D6D7450, 16 bytes long.
 Data: <&#200; m}Q           > C8 81 6D 7D 51 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002517D6D1DA0, 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 0x000002517D6D7090, 16 bytes long.
 Data: <  m}Q           > A0 81 6D 7D 51 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002517D6D1800, 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 0x000002517D6D7130, 16 bytes long.
 Data: <  m}Q           > E8 80 6D 7D 51 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002517D6D7860, 16 bytes long.
 Data: <&#192; m}Q           > C0 80 6D 7D 51 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002517D6D7DB0, 16 bytes long.
 Data: <  m}Q           > 98 80 6D 7D 51 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002517D6D7A90, 16 bytes long.
 Data: <p m}Q           > 70 80 6D 7D 51 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002517D6D7810, 16 bytes long.
 Data: <H m}Q           > 48 80 6D 7D 51 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002517D6D79F0, 16 bytes long.
 Data: <  m}Q           > 20 80 6D 7D 51 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002517D6D71D0, 16 bytes long.
 Data: < im}Q           > 20 69 6D 7D 51 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002517D6D6920, 40 bytes long.
 Data: <&#208;qm}Q    em}Q   > D0 71 6D 7D 51 02 00 00 A0 65 6D 7D 51 02 00 00 
{267} normal block at 0x000002517D6D7720, 16 bytes long.
 Data: <  m}Q           > 00 80 6D 7D 51 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002517D6D79A0, 16 bytes long.
 Data: <&#216; m}Q           > D8 7F 6D 7D 51 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002517D6D1500, 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 0x000002517D6D77C0, 16 bytes long.
 Data: <&#176; m}Q           > B0 7F 6D 7D 51 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002517D6D7FB0, 992 bytes long.
 Data: <&#192;wm}Q     m}Q   > C0 77 6D 7D 51 02 00 00 00 15 6D 7D 51 02 00 00 
{99} normal block at 0x000002517D6D1AA0, 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 0x000002517D6CE940, 16 bytes long.
 Data: <p k}Q           > 70 9B 6B 7D 51 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000002517D6B9B70, 40 bytes long.
 Data: <@ l}Q     m}Q   > 40 E9 6C 7D 51 02 00 00 A0 1A 6D 7D 51 02 00 00 
{74} normal block at 0x000002517D6CEB70, 16 bytes long.
 Data: <                > 80 EA F7 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002517D6CE440, 16 bytes long.
 Data: <@               > 40 E9 F7 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002517D6CED00, 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 0x000002517D6CECB0, 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 0x000002517D6CEBC0, 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 0x000002517D6CEEE0, 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 0x000002517D6CEC60, 16 bytes long.
 Data: <                > E0 02 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002517D6CF070, 16 bytes long.
 Data: <                > 10 04 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002517D6CE8A0, 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 0x000002517D6CEE40, 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>
]]>