Task 38685414

Name test_603-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND8577_0
Workunit 31626880
Created 27 Oct 2026, 20:56:11 UTC
Sent 27 Oct 2026, 20:56:15 UTC
Report deadline 1 Nov 2026, 20:56:15 UTC
Received 27 Oct 2026, 23:19:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 607118
Run time 48 min 4 sec
CPU time 43 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,441.05 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 641.20 MB
Peak swap size 9.73 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:18:10 (9184): wrapper (7.9.26016): starting
00:18:10 (9184): 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
00:18:15 (9184): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:18:16 (9184): 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 'C:\ProgramData\BOINC\slots\24\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 'C:\ProgramData\BOINC\slots\24\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
01:03:47 (9184): C:/Windows/system32/cmd.exe exited; CPU time 2590.953125
01:03:47 (9184): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 37059103 bytes.
Dumping objects ->
{3835241} normal block at 0x0000015D7BE8A5D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835230} normal block at 0x0000015D7BE8AE90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x0000015D7BE8ABF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835208} normal block at 0x0000015D7BE8A790, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x0000015D7A2AC1A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835166} normal block at 0x0000015D7BED3F60, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835155} normal block at 0x0000015D7BDCB930, 180 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) : {3835151} normal block at 0x0000015D7A2A7280, 8 bytes long.
 Data: <   z]   > 00 00 1F 7A 5D 01 00 00 
{3834544} normal block at 0x0000015D7BDCAEE0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x0000015D7A2A7050, 8 bytes long.
 Data: <  &#243;{]   > 00 15 F3 7B 5D 01 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x0000015D7A2B0F20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000015D7A29D590, 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 0x0000015D7A2B2370, 16 bytes long.
 Data: <&#168;B+z]           > A8 42 2B 7A 5D 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000015D7A2B20F0, 16 bytes long.
 Data: <&#128;B+z]           > 80 42 2B 7A 5D 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000015D7A2AD350, 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 0x0000015D7A2B2BE0, 16 bytes long.
 Data: <XB+z]           > 58 42 2B 7A 5D 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000015D7A2B2000, 16 bytes long.
 Data: <0B+z]           > 30 42 2B 7A 5D 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015D7A2B27D0, 16 bytes long.
 Data: < B+z]           > 08 42 2B 7A 5D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015D7A2B1FB0, 16 bytes long.
 Data: <&#224;A+z]           > E0 41 2B 7A 5D 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015D7A2AC360, 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 0x0000015D7A2B2690, 16 bytes long.
 Data: <&#168; )z]           > A8 B9 29 7A 5D 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000015D7A2ADE90, 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 0x0000015D7A2B2A50, 16 bytes long.
 Data: <&#128; )z]           > 80 B9 29 7A 5D 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000015D7A2B2780, 16 bytes long.
 Data: <X )z]           > 58 B9 29 7A 5D 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000015D7A2B2DC0, 16 bytes long.
 Data: <0 )z]           > 30 B9 29 7A 5D 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000015D7A2B2640, 16 bytes long.
 Data: <  )z]           > 08 B9 29 7A 5D 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000015D7A2B2E60, 16 bytes long.
 Data: <&#224;&#184;)z]           > E0 B8 29 7A 5D 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000015D7A2B2550, 16 bytes long.
 Data: <&#184;&#184;)z]           > B8 B8 29 7A 5D 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015D7A2AD1D0, 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 0x0000015D7A2B2500, 16 bytes long.
 Data: <&#144;&#184;)z]           > 90 B8 29 7A 5D 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015D7A29B890, 320 bytes long.
 Data: < %+z]   &#208;&#209;*z]   > 00 25 2B 7A 5D 01 00 00 D0 D1 2A 7A 5D 01 00 00 
{266} normal block at 0x0000015D7A2B2960, 16 bytes long.
 Data: <&#192;A+z]           > C0 41 2B 7A 5D 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000015D7A2B2A00, 16 bytes long.
 Data: < A+z]           > 98 41 2B 7A 5D 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015D7A2ADE30, 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 0x0000015D7A2B2D20, 16 bytes long.
 Data: <pA+z]           > 70 41 2B 7A 5D 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000015D7A2ADB30, 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 0x0000015D7A2B2820, 16 bytes long.
 Data: <&#184;@+z]           > B8 40 2B 7A 5D 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000015D7A2B22D0, 16 bytes long.
 Data: <&#144;@+z]           > 90 40 2B 7A 5D 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000015D7A2B23C0, 16 bytes long.
 Data: <h@+z]           > 68 40 2B 7A 5D 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000015D7A2B2910, 16 bytes long.
 Data: <@@+z]           > 40 40 2B 7A 5D 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000015D7A2B25F0, 16 bytes long.
 Data: < @+z]           > 18 40 2B 7A 5D 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000015D7A2B2B90, 16 bytes long.
 Data: <&#240;?+z]           > F0 3F 2B 7A 5D 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000015D7A2B2F00, 16 bytes long.
 Data: <&#128;&#194;*z]           > 80 C2 2A 7A 5D 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000015D7A2AC280, 40 bytes long.
 Data: < /+z]   `?&#237;{]   > 00 2F 2B 7A 5D 01 00 00 60 3F ED 7B 5D 01 00 00 
{252} normal block at 0x0000015D7A2B20A0, 16 bytes long.
 Data: <&#208;?+z]           > D0 3F 2B 7A 5D 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000015D7A2B2B40, 16 bytes long.
 Data: <&#168;?+z]           > A8 3F 2B 7A 5D 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000015D7A2ADCB0, 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 0x0000015D7A2B2050, 16 bytes long.
 Data: <&#128;?+z]           > 80 3F 2B 7A 5D 01 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x0000015D7A2B3F80, 992 bytes long.
 Data: <P +z]   &#176;&#220;*z]   > 50 20 2B 7A 5D 01 00 00 B0 DC 2A 7A 5D 01 00 00 
{84} normal block at 0x0000015D7A2ADD70, 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 0x0000015D7A2A7AA0, 16 bytes long.
 Data: <&#224;&#191;*z]           > E0 BF 2A 7A 5D 01 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000015D7A2ABFE0, 40 bytes long.
 Data: <&#160;z*z]   p&#221;*z]   > A0 7A 2A 7A 5D 01 00 00 70 DD 2A 7A 5D 01 00 00 
{61} normal block at 0x0000015D7A2A7910, 16 bytes long.
 Data: <&#128;&#234;  &#246;           > 80 EA 16 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000015D7A2A71E0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 16 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000015D7A2A7FA0, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000015D7A2A7F50, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000015D7A2A74B0, 16 bytes long.
 Data: <P   &#246;           > 50 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000015D7A2A7B40, 16 bytes long.
 Data: <0   &#246;           > 30 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000015D7A2A75F0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000015D7A2A7500, 16 bytes long.
 Data: <    &#246;           > 10 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000015D7A2A7CD0, 16 bytes long.
 Data: <p   &#246;           > 70 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x0000015D7A2A7EB0, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 11 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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