Task 38673696

Name test_450-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND3840_0
Workunit 31615761
Created 26 Oct 2026, 3:10:05 UTC
Sent 26 Oct 2026, 3:10:08 UTC
Report deadline 31 Oct 2026, 3:10:08 UTC
Received 26 Oct 2026, 3:56:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641545
Run time 27 min 56 sec
CPU time 27 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 30,562.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 695.75 MB
Peak swap size 5.41 GB
Peak disk usage 1.57 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
03:17:40 (53360): wrapper (7.9.26016): starting
03:17:40 (53360): 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
03:17:42 (53360): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:17:42 (53360): 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:\bonic2\slots\0\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:\bonic2\slots\0\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
03:47:30 (53360): C:/Windows/system32/cmd.exe exited; CPU time 1676.140625
03:47:30 (53360): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 36378909 bytes.
Dumping objects ->
{3835412} normal block at 0x0000012B7D8C8F30, 48 bytes long.
 Data: <PATH=E:\bonic2\s> 50 41 54 48 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73 
{3835401} normal block at 0x0000012B7F545930, 32 bytes long.
 Data: <HOME=E:\bonic2\s> 48 4F 4D 45 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73 
{3835390} normal block at 0x0000012B7F5458D0, 32 bytes long.
 Data: <TMP=E:\bonic2\sl> 54 4D 50 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73 6C 
{3835379} normal block at 0x0000012B7F546710, 32 bytes long.
 Data: <TEMP=E:\bonic2\s> 54 45 4D 50 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73 
{3835368} normal block at 0x0000012B7F545810, 32 bytes long.
 Data: <TMPDIR=E:\bonic2> 54 4D 50 44 49 52 3D 45 3A 5C 62 6F 6E 69 63 32 
{3835337} normal block at 0x0000012B7D8C8E50, 48 bytes long.
 Data: <PATH=E:\bonic2\s> 50 41 54 48 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73 
..\api\boinc_api.cpp(309) : {3835324} normal block at 0x0000012B7D89BE70, 8 bytes long.
 Data: <  &#135;}+   > 00 00 87 7D 2B 01 00 00 
{3833987} normal block at 0x0000012B7D89C4B0, 8 bytes long.
 Data: <&#208;&#234;@ +   > D0 EA 40 7F 2B 01 00 00 
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x0000012B7D8A0CC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{310} normal block at 0x0000012B7D897BE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{309} normal block at 0x0000012B7D8A4AA0, 16 bytes long.
 Data: <H`&#138;}+           > 48 60 8A 7D 2B 01 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x0000012B7D8A4EB0, 16 bytes long.
 Data: < `&#138;}+           > 20 60 8A 7D 2B 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000012B7D89DD30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{306} normal block at 0x0000012B7D8A49B0, 16 bytes long.
 Data: <&#248;_&#138;}+           > F8 5F 8A 7D 2B 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000012B7D8A5770, 16 bytes long.
 Data: <&#208;_&#138;}+           > D0 5F 8A 7D 2B 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000012B7D8A4CD0, 16 bytes long.
 Data: <&#168;_&#138;}+           > A8 5F 8A 7D 2B 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000012B7D8A5720, 16 bytes long.
 Data: < _&#138;}+           > 80 5F 8A 7D 2B 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000012B7D89ED20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{301} normal block at 0x0000012B7D8A4BE0, 16 bytes long.
 Data: <h&#163;&#137;}+           > 68 A3 89 7D 2B 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000012B7D89D850, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{299} normal block at 0x0000012B7D8A51D0, 16 bytes long.
 Data: <@&#163;&#137;}+           > 40 A3 89 7D 2B 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000012B7D8A56D0, 16 bytes long.
 Data: < &#163;&#137;}+           > 18 A3 89 7D 2B 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000012B7D8A5680, 16 bytes long.
 Data: <&#240;&#162;&#137;}+           > F0 A2 89 7D 2B 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000012B7D8A4B90, 16 bytes long.
 Data: <&#200;&#162;&#137;}+           > C8 A2 89 7D 2B 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000012B7D8A4960, 16 bytes long.
 Data: <&#160;&#162;&#137;}+           > A0 A2 89 7D 2B 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000012B7D8A58B0, 16 bytes long.
 Data: <x&#162;&#137;}+           > 78 A2 89 7D 2B 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000012B7D89D730, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{291} normal block at 0x0000012B7D8A5630, 16 bytes long.
 Data: <P&#162;&#137;}+           > 50 A2 89 7D 2B 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000012B7D89A250, 320 bytes long.
 Data: <0V&#138;}+   0&#215;&#137;}+   > 30 56 8A 7D 2B 01 00 00 30 D7 89 7D 2B 01 00 00 
{289} normal block at 0x0000012B7D8A50E0, 16 bytes long.
 Data: <`_&#138;}+           > 60 5F 8A 7D 2B 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000012B7D8A4E60, 16 bytes long.
 Data: <8_&#138;}+           > 38 5F 8A 7D 2B 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000012B7D89D7F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{286} normal block at 0x0000012B7D8A5400, 16 bytes long.
 Data: < _&#138;}+           > 10 5F 8A 7D 2B 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000012B7D89DE50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{284} normal block at 0x0000012B7D8A4E10, 16 bytes long.
 Data: <X^&#138;}+           > 58 5E 8A 7D 2B 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000012B7D8A57C0, 16 bytes long.
 Data: <0^&#138;}+           > 30 5E 8A 7D 2B 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000012B7D8A55E0, 16 bytes long.
 Data: < ^&#138;}+           > 08 5E 8A 7D 2B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000012B7D8A4C30, 16 bytes long.
 Data: <&#224;]&#138;}+           > E0 5D 8A 7D 2B 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000012B7D8A5360, 16 bytes long.
 Data: <&#184;]&#138;}+           > B8 5D 8A 7D 2B 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000012B7D8A5590, 16 bytes long.
 Data: < ]&#138;}+           > 90 5D 8A 7D 2B 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000012B7D8A53B0, 16 bytes long.
 Data: <&#160;&#233;&#137;}+           > A0 E9 89 7D 2B 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000012B7D89E9A0, 40 bytes long.
 Data: <&#176;S&#138;}+   P&#142;&#140;}+   > B0 53 8A 7D 2B 01 00 00 50 8E 8C 7D 2B 01 00 00 
{275} normal block at 0x0000012B7D8A5810, 16 bytes long.
 Data: <p]&#138;}+           > 70 5D 8A 7D 2B 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000012B7D8A5860, 16 bytes long.
 Data: <H]&#138;}+           > 48 5D 8A 7D 2B 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000012B7D89E3F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{272} normal block at 0x0000012B7D8A4C80, 16 bytes long.
 Data: < ]&#138;}+           > 20 5D 8A 7D 2B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000012B7D8A5D20, 992 bytes long.
 Data: < L&#138;}+   &#240;&#227;&#137;}+   > 80 4C 8A 7D 2B 01 00 00 F0 E3 89 7D 2B 01 00 00 
{107} normal block at 0x0000012B7D89DCD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{106} normal block at 0x0000012B7D89B830, 16 bytes long.
 Data: < &#230;&#137;}+           > 90 E6 89 7D 2B 01 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x0000012B7D89E690, 40 bytes long.
 Data: <0&#184;&#137;}+   &#208;&#220;&#137;}+   > 30 B8 89 7D 2B 01 00 00 D0 DC 89 7D 2B 01 00 00 
{84} normal block at 0x0000012B7D89BA10, 16 bytes long.
 Data: < &#234;:&#228;&#247;           > 80 EA 3A E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000012B7D89B6F0, 16 bytes long.
 Data: <@&#233;:&#228;&#247;           > 40 E9 3A E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000012B7D89C1E0, 16 bytes long.
 Data: <&#248;W7&#228;&#247;           > F8 57 37 E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000012B7D89B790, 16 bytes long.
 Data: <&#216;W7&#228;&#247;           > D8 57 37 E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000012B7D89BDD0, 16 bytes long.
 Data: <P 7&#228;&#247;           > 50 04 37 E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000012B7D89BAB0, 16 bytes long.
 Data: <0 7&#228;&#247;           > 30 04 37 E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000012B7D89BD30, 16 bytes long.
 Data: <&#224; 7&#228;&#247;           > E0 02 37 E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000012B7D89C0A0, 16 bytes long.
 Data: <  7&#228;&#247;           > 10 04 37 E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000012B7D89BBF0, 16 bytes long.
 Data: <p 7&#228;&#247;           > 70 04 37 E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000012B7D89BCE0, 16 bytes long.
 Data: < &#192;5&#228;&#247;           > 18 C0 35 E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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