Task 38645771

Name test_397-GPUGRID_TEST_ATM_500_20261023-0-1-RND6793_0
Workunit 31590734
Created 23 Oct 2026, 16:13:37 UTC
Sent 23 Oct 2026, 16:28:02 UTC
Report deadline 28 Oct 2026, 16:28:02 UTC
Received 23 Oct 2026, 20:55:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 600399
Run time 3 hours 1 min 55 sec
CPU time 40 min 6 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.93 MB
Peak swap size 12.90 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
19:55:04 (98420): wrapper (7.9.26016): starting
19:55:04 (98420): 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
19:55:09 (98420): Library/usr/bin/tar.exe exited; CPU time 0.125000
19:55:09 (98420): 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:\BOINC\slots\32\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:\BOINC\slots\32\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
22:55:20 (98420): C:/Windows/system32/cmd.exe exited; CPU time 2406.828125
22:55:20 (98420): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 293774231 bytes.
Dumping objects ->
{3835295} normal block at 0x000001FED3CFCBA0, 48 bytes long.
 Data: <PATH=C:\BOINC\sl> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835284} normal block at 0x000001FED3D94240, 32 bytes long.
 Data: <HOME=C:\BOINC\sl> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835273} normal block at 0x000001FED3D94CC0, 32 bytes long.
 Data: <TMP=C:\BOINC\slo> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835262} normal block at 0x000001FED3D944E0, 32 bytes long.
 Data: <TEMP=C:\BOINC\sl> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835251} normal block at 0x000001FED3D94A80, 32 bytes long.
 Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C 
{3835220} normal block at 0x000001FED1F332C0, 48 bytes long.
 Data: <PATH=C:\BOINC\sl> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835209} normal block at 0x000001FED1F8B960, 140 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) : {3835205} normal block at 0x000001FED1F2DB60, 8 bytes long.
 Data: <  &#235;&#209;&#254;   > 00 00 EB D1 FE 01 00 00 
{3834577} normal block at 0x000001FED1F8BCA0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001FED1F2D2A0, 8 bytes long.
 Data: <&#208; &#200;&#211;&#254;   > D0 10 C8 D3 FE 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001FED1F2BEA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001FED1F26520, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001FED1F34790, 16 bytes long.
 Data: <&#248;;&#243;&#209;&#254;           > F8 3B F3 D1 FE 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001FED1F34740, 16 bytes long.
 Data: <&#208;;&#243;&#209;&#254;           > D0 3B F3 D1 FE 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001FED1F2EB30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001FED1F344C0, 16 bytes long.
 Data: <&#168;;&#243;&#209;&#254;           > A8 3B F3 D1 FE 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001FED1F34880, 16 bytes long.
 Data: < ;&#243;&#209;&#254;           > 80 3B F3 D1 FE 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FED1F34B00, 16 bytes long.
 Data: <X;&#243;&#209;&#254;           > 58 3B F3 D1 FE 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FED1F34470, 16 bytes long.
 Data: <0;&#243;&#209;&#254;           > 30 3B F3 D1 FE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FED1F333A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001FED1F34100, 16 bytes long.
 Data: <&#232;&#204;&#242;&#209;&#254;           > E8 CC F2 D1 FE 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FED1F2E410, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001FED1F34650, 16 bytes long.
 Data: <&#192;&#204;&#242;&#209;&#254;           > C0 CC F2 D1 FE 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FED1F341A0, 16 bytes long.
 Data: < &#204;&#242;&#209;&#254;           > 98 CC F2 D1 FE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FED1F346F0, 16 bytes long.
 Data: <p&#204;&#242;&#209;&#254;           > 70 CC F2 D1 FE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FED1F343D0, 16 bytes long.
 Data: <H&#204;&#242;&#209;&#254;           > 48 CC F2 D1 FE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FED1F34290, 16 bytes long.
 Data: < &#204;&#242;&#209;&#254;           > 20 CC F2 D1 FE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FED1F34830, 16 bytes long.
 Data: <&#248;&#203;&#242;&#209;&#254;           > F8 CB F2 D1 FE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FED1F2DED0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001FED1F340B0, 16 bytes long.
 Data: <&#208;&#203;&#242;&#209;&#254;           > D0 CB F2 D1 FE 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FED1F2CBD0, 320 bytes long.
 Data: <&#176;@&#243;&#209;&#254;   &#208;&#222;&#242;&#209;&#254;   > B0 40 F3 D1 FE 01 00 00 D0 DE F2 D1 FE 01 00 00 
{277} normal block at 0x000001FED1F34420, 16 bytes long.
 Data: < ;&#243;&#209;&#254;           > 10 3B F3 D1 FE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FED1F34BF0, 16 bytes long.
 Data: <&#232;:&#243;&#209;&#254;           > E8 3A F3 D1 FE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FED1F2DFF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001FED1F34060, 16 bytes long.
 Data: <&#192;:&#243;&#209;&#254;           > C0 3A F3 D1 FE 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FED1F2E4D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001FED1F34AB0, 16 bytes long.
 Data: < :&#243;&#209;&#254;           > 08 3A F3 D1 FE 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FED1F33E30, 16 bytes long.
 Data: <&#224;9&#243;&#209;&#254;           > E0 39 F3 D1 FE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FED1F34380, 16 bytes long.
 Data: <&#184;9&#243;&#209;&#254;           > B8 39 F3 D1 FE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FED1F345B0, 16 bytes long.
 Data: < 9&#243;&#209;&#254;           > 90 39 F3 D1 FE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FED1F34010, 16 bytes long.
 Data: <h9&#243;&#209;&#254;           > 68 39 F3 D1 FE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FED1F2D340, 16 bytes long.
 Data: <@9&#243;&#209;&#254;           > 40 39 F3 D1 FE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FED1F2D250, 16 bytes long.
 Data: < 4&#243;&#209;&#254;           > 10 34 F3 D1 FE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FED1F33410, 40 bytes long.
 Data: <P&#210;&#242;&#209;&#254;   &#192;2&#243;&#209;&#254;   > 50 D2 F2 D1 FE 01 00 00 C0 32 F3 D1 FE 01 00 00 
{263} normal block at 0x000001FED1F2D1B0, 16 bytes long.
 Data: < 9&#243;&#209;&#254;           > 20 39 F3 D1 FE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FED1F2D160, 16 bytes long.
 Data: <&#248;8&#243;&#209;&#254;           > F8 38 F3 D1 FE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FED1F2DE10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001FED1F2D0C0, 16 bytes long.
 Data: <&#208;8&#243;&#209;&#254;           > D0 38 F3 D1 FE 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FED1F338D0, 992 bytes long.
 Data: <&#192;&#208;&#242;&#209;&#254;    &#222;&#242;&#209;&#254;   > C0 D0 F2 D1 FE 01 00 00 10 DE F2 D1 FE 01 00 00 
{95} normal block at 0x000001FED1F2E2F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001FED1F2D430, 16 bytes long.
 Data: <`.&#243;&#209;&#254;           > 60 2E F3 D1 FE 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001FED1F32E60, 40 bytes long.
 Data: <0&#212;&#242;&#209;&#254;   &#240;&#226;&#242;&#209;&#254;   > 30 D4 F2 D1 FE 01 00 00 F0 E2 F2 D1 FE 01 00 00 
{72} normal block at 0x000001FED1F2D890, 16 bytes long.
 Data: < &#234;'b&#246;           > 80 EA 27 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001FED1F2DA70, 16 bytes long.
 Data: <@&#233;'b&#246;           > 40 E9 27 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001FED1F2CE40, 16 bytes long.
 Data: <&#248;W$b&#246;           > F8 57 24 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001FED1F2D7A0, 16 bytes long.
 Data: <&#216;W$b&#246;           > D8 57 24 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FED1F2D9D0, 16 bytes long.
 Data: <P $b&#246;           > 50 04 24 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FED1F2DCF0, 16 bytes long.
 Data: <0 $b&#246;           > 30 04 24 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FED1F2D840, 16 bytes long.
 Data: <&#224; $b&#246;           > E0 02 24 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FED1F2D7F0, 16 bytes long.
 Data: <  $b&#246;           > 10 04 24 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FED1F2DA20, 16 bytes long.
 Data: <p $b&#246;           > 70 04 24 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FED1F2D520, 16 bytes long.
 Data: < &#192;"b&#246;           > 18 C0 22 62 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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