Task 38674306

Name	test_335-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND6036_0
Workunit	31616350
Created	26 Oct 2026, 4:54:53 UTC
Sent	26 Oct 2026, 4:54:55 UTC
Report deadline	31 Oct 2026, 4:54:55 UTC
Received	26 Oct 2026, 5:37:19 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	619953
Run time	41 min 12 sec
CPU time	34 min 19 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	729.11 MB
Peak swap size	5.40 GB
Peak disk usage	3.02 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:57:04 (29564): wrapper (7.9.26016): starting
13:57:04 (29564): 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
13:57:06 (29564): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:57:06 (29564): 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\11\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\11\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
14:36:46 (29564): C:/Windows/system32/cmd.exe exited; CPU time 2059.875000
14:36:46 (29564): 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: 52556683 bytes.
Dumping objects ->
{3835399} normal block at 0x0000024051ED6870, 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 0x0000024053F57B60, 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 0x0000024053F57BC0, 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 0x0000024053F58160, 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 0x0000024053F58100, 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 0x0000024051ED6330, 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 0x0000024053F1FB40, 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 0x0000024051ECEAB0, 8 bytes long.
 Data: <  3R@   > 00 00 33 52 40 02 00 00 
{3834688} normal block at 0x0000024053F1FEB0, 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 0x0000024051ECE9C0, 8 bytes long.
 Data: <&#192;a S@   > C0 61 F6 53 40 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000024051ED0110, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000024051EC7B00, 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 0x0000024051ED7990, 16 bytes long.
 Data: <(  Q@           > 28 82 ED 51 40 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000024051ED73A0, 16 bytes long.
 Data: <   Q@           > 00 82 ED 51 40 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000024051ED1370, 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 0x0000024051ED7800, 16 bytes long.
 Data: <&#216;  Q@           > D8 81 ED 51 40 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000024051ED7D50, 16 bytes long.
 Data: <&#176;  Q@           > B0 81 ED 51 40 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024051ED7670, 16 bytes long.
 Data: <   Q@           > 88 81 ED 51 40 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024051ED7350, 16 bytes long.
 Data: <`  Q@           > 60 81 ED 51 40 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024051ED6950, 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 0x0000024051ED7D00, 16 bytes long.
 Data: <X&#195; Q@           > 58 C3 EB 51 40 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024051ED18B0, 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 0x0000024051ED7580, 16 bytes long.
 Data: <0&#195; Q@           > 30 C3 EB 51 40 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024051ED7CB0, 16 bytes long.
 Data: < &#195; Q@           > 08 C3 EB 51 40 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024051ED6FE0, 16 bytes long.
 Data: < &#194; Q@           > E0 C2 EB 51 40 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024051ED7A30, 16 bytes long.
 Data: <&#184;&#194; Q@           > B8 C2 EB 51 40 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024051ED72B0, 16 bytes long.
 Data: < &#194; Q@           > 90 C2 EB 51 40 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024051ED7620, 16 bytes long.
 Data: <h&#194; Q@           > 68 C2 EB 51 40 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024051ED1610, 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 0x0000024051ED7530, 16 bytes long.
 Data: <@&#194; Q@           > 40 C2 EB 51 40 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024051EBC240, 320 bytes long.
 Data: <0u Q@      Q@   > 30 75 ED 51 40 02 00 00 10 16 ED 51 40 02 00 00 
{281} normal block at 0x0000024051ED7DF0, 16 bytes long.
 Data: <@  Q@           > 40 81 ED 51 40 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024051ED7C10, 16 bytes long.
 Data: <   Q@           > 18 81 ED 51 40 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024051ED15B0, 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 0x0000024051ED7B70, 16 bytes long.
 Data: <   Q@           > F0 80 ED 51 40 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024051ED16D0, 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 0x0000024051ED7030, 16 bytes long.
 Data: <8  Q@           > 38 80 ED 51 40 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024051ED7300, 16 bytes long.
 Data: <   Q@           > 10 80 ED 51 40 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024051ED7490, 16 bytes long.
 Data: <   Q@           > E8 7F ED 51 40 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024051ED7210, 16 bytes long.
 Data: <&#192;  Q@           > C0 7F ED 51 40 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024051ED7B20, 16 bytes long.
 Data: <   Q@           > 98 7F ED 51 40 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024051ED7BC0, 16 bytes long.
 Data: <p  Q@           > 70 7F ED 51 40 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024051ED6F40, 16 bytes long.
 Data: < h Q@           > E0 68 ED 51 40 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024051ED68E0, 40 bytes long.
 Data: <@o Q@   0c Q@   > 40 6F ED 51 40 02 00 00 30 63 ED 51 40 02 00 00 
{267} normal block at 0x0000024051ED7080, 16 bytes long.
 Data: <P  Q@           > 50 7F ED 51 40 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024051ED7120, 16 bytes long.
 Data: <(  Q@           > 28 7F ED 51 40 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024051ED11F0, 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 0x0000024051ED7AD0, 16 bytes long.
 Data: <   Q@           > 00 7F ED 51 40 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024051ED7F00, 992 bytes long.
 Data: <&#208;z Q@      Q@   > D0 7A ED 51 40 02 00 00 F0 11 ED 51 40 02 00 00 
{99} normal block at 0x0000024051ED19D0, 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 0x0000024051ECE790, 16 bytes long.
 Data: < &#212; Q@           > A0 D4 EB 51 40 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x0000024051EBD4A0, 40 bytes long.
 Data: <   Q@   &#208;  Q@   > 90 E7 EC 51 40 02 00 00 D0 19 ED 51 40 02 00 00 
{74} normal block at 0x0000024051ECEBF0, 16 bytes long.
 Data: <  2@            > 80 EA 32 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000024051ECEA60, 16 bytes long.
 Data: <@ 2@            > 40 E9 32 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000024051ECEC40, 16 bytes long.
 Data: < W/@            > F8 57 2F 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000024051ECEE20, 16 bytes long.
 Data: <&#216;W/@            > D8 57 2F 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024051ECEFB0, 16 bytes long.
 Data: <P /@            > 50 04 2F 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024051ECEB50, 16 bytes long.
 Data: <0 /@            > 30 04 2F 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024051ECEB00, 16 bytes long.
 Data: <  /@            > E0 02 2F 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024051ECE8D0, 16 bytes long.
 Data: <  /@            > 10 04 2F 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024051ECE6F0, 16 bytes long.
 Data: <p /@            > 70 04 2F 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024051ECE740, 16 bytes long.
 Data: < &#192;-@            > 18 C0 2D 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>