Task 38676731

Name test_414-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND0826_0
Workunit 31618631
Created 26 Oct 2026, 12:09:43 UTC
Sent 26 Oct 2026, 12:09:49 UTC
Report deadline 31 Oct 2026, 12:09:49 UTC
Received 26 Oct 2026, 14:10:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654841
Run time 30 min 31 sec
CPU time 28 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 706.57 MB
Peak swap size 8.41 GB
Peak disk usage 3.32 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:38:46 (4236): wrapper (7.9.26016): starting
15:38:46 (4236): 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
15:38:47 (4236): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:38:47 (4236): 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 'D:\ProgramData\BOINC\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 'D:\ProgramData\BOINC\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
16:08:36 (4236): C:/Windows/system32/cmd.exe exited; CPU time 1690.875000
16:08:36 (4236): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 23812925 bytes.
Dumping objects ->
{3835233} normal block at 0x00000265FEF009C0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x00000265FEF01750, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x00000265FEF00FE0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835200} normal block at 0x00000265FEF017C0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835189} normal block at 0x00000265FEF00B10, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835158} normal block at 0x00000265FEFAD7B0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835147} normal block at 0x00000265FEF39CA0, 160 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) : {3835144} normal block at 0x00000265FD288700, 8 bytes long.
 Data: <  "&#253;e   > 00 00 22 FD 65 02 00 00 
{3834543} normal block at 0x00000265FEF3A1E0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833946} normal block at 0x00000265FD288E30, 8 bytes long.
 Data: <@   e   > 40 8C 00 FF 65 02 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x00000265FD28E1D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000265FD275EB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x00000265FD2946C0, 16 bytes long.
 Data: < P)&#253;e           > 98 50 29 FD 65 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000265FD2948A0, 16 bytes long.
 Data: <pP)&#253;e           > 70 50 29 FD 65 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000265FD28EDC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x00000265FD294AD0, 16 bytes long.
 Data: <HP)&#253;e           > 48 50 29 FD 65 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000265FD294D00, 16 bytes long.
 Data: < P)&#253;e           > 20 50 29 FD 65 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000265FD294620, 16 bytes long.
 Data: <&#248;O)&#253;e           > F8 4F 29 FD 65 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000265FD294CB0, 16 bytes long.
 Data: <&#208;O)&#253;e           > D0 4F 29 FD 65 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000265FD28FC80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x00000265FD2945D0, 16 bytes long.
 Data: <H^'&#253;e           > 48 5E 27 FD 65 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000265FD28E820, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x00000265FD294710, 16 bytes long.
 Data: < ^'&#253;e           > 20 5E 27 FD 65 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000265FD293FE0, 16 bytes long.
 Data: <&#248;]'&#253;e           > F8 5D 27 FD 65 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000265FD294210, 16 bytes long.
 Data: <&#208;]'&#253;e           > D0 5D 27 FD 65 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000265FD2943A0, 16 bytes long.
 Data: <&#168;]'&#253;e           > A8 5D 27 FD 65 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000265FD294670, 16 bytes long.
 Data: < ]'&#253;e           > 80 5D 27 FD 65 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000265FD293E00, 16 bytes long.
 Data: <X]'&#253;e           > 58 5D 27 FD 65 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000265FD28EBE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x00000265FD2942B0, 16 bytes long.
 Data: <0]'&#253;e           > 30 5D 27 FD 65 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000265FD275D30, 320 bytes long.
 Data: <&#176;B)&#253;e   &#224;&#235;(&#253;e   > B0 42 29 FD 65 02 00 00 E0 EB 28 FD 65 02 00 00 
{266} normal block at 0x00000265FD294120, 16 bytes long.
 Data: <&#176;O)&#253;e           > B0 4F 29 FD 65 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000265FD2941C0, 16 bytes long.
 Data: < O)&#253;e           > 88 4F 29 FD 65 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000265FD28E760, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x00000265FD294580, 16 bytes long.
 Data: <`O)&#253;e           > 60 4F 29 FD 65 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000265FD28EB80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x00000265FD294350, 16 bytes long.
 Data: <&#168;N)&#253;e           > A8 4E 29 FD 65 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000265FD294A80, 16 bytes long.
 Data: < N)&#253;e           > 80 4E 29 FD 65 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000265FD294530, 16 bytes long.
 Data: <XN)&#253;e           > 58 4E 29 FD 65 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000265FD294170, 16 bytes long.
 Data: <0N)&#253;e           > 30 4E 29 FD 65 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000265FD2947B0, 16 bytes long.
 Data: < N)&#253;e           > 08 4E 29 FD 65 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000265FD293E50, 16 bytes long.
 Data: <&#224;M)&#253;e           > E0 4D 29 FD 65 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000265FD294800, 16 bytes long.
 Data: <&#160;&#251;(&#253;e           > A0 FB 28 FD 65 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000265FD28FBA0, 40 bytes long.
 Data: < H)&#253;e   &#176;&#215;&#250;&#254;e   > 00 48 29 FD 65 02 00 00 B0 D7 FA FE 65 02 00 00 
{252} normal block at 0x00000265FD294490, 16 bytes long.
 Data: <&#192;M)&#253;e           > C0 4D 29 FD 65 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000265FD294260, 16 bytes long.
 Data: < M)&#253;e           > 98 4D 29 FD 65 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000265FD28EB20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x00000265FD2948F0, 16 bytes long.
 Data: <pM)&#253;e           > 70 4D 29 FD 65 02 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x00000265FD294D70, 992 bytes long.
 Data: <&#240;H)&#253;e    &#235;(&#253;e   > F0 48 29 FD 65 02 00 00 20 EB 28 FD 65 02 00 00 
{84} normal block at 0x00000265FD28E5E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x00000265FD2882F0, 16 bytes long.
 Data: <&#208;&#246;(&#253;e           > D0 F6 28 FD 65 02 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x00000265FD28F6D0, 40 bytes long.
 Data: <&#240;&#130;(&#253;e   &#224;&#229;(&#253;e   > F0 82 28 FD 65 02 00 00 E0 E5 28 FD 65 02 00 00 
{61} normal block at 0x00000265FD288200, 16 bytes long.
 Data: < &#234;w&#167;&#246;           > 80 EA 77 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000265FD288520, 16 bytes long.
 Data: <@&#233;w&#167;&#246;           > 40 E9 77 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000265FD288980, 16 bytes long.
 Data: <&#248;Wt&#167;&#246;           > F8 57 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000265FD288F70, 16 bytes long.
 Data: <&#216;Wt&#167;&#246;           > D8 57 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000265FD288930, 16 bytes long.
 Data: <P t&#167;&#246;           > 50 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000265FD2884D0, 16 bytes long.
 Data: <0 t&#167;&#246;           > 30 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000265FD288BB0, 16 bytes long.
 Data: <&#224; t&#167;&#246;           > E0 02 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000265FD288B60, 16 bytes long.
 Data: <  t&#167;&#246;           > 10 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x00000265FD288A70, 16 bytes long.
 Data: <p t&#167;&#246;           > 70 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x00000265FD288480, 16 bytes long.
 Data: < &#192;r&#167;&#246;           > 18 C0 72 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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