Task 38687080

Name test_965-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND8551_0
Workunit 31628486
Created 28 Oct 2026, 5:54:55 UTC
Sent 28 Oct 2026, 5:55:00 UTC
Report deadline 2 Nov 2026, 5:55:00 UTC
Received 28 Oct 2026, 6:37:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 140554
Run time 42 min 54 sec
CPU time 44 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 725.13 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
22:56:41 (4908): wrapper (7.9.26016): starting
22:56:41 (4908): 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
22:56:43 (4908): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:56:43 (4908): 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\7\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\7\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
23:37:20 (4908): C:/Windows/system32/cmd.exe exited; CPU time 2657.125000
23:37:20 (4908): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 39039175 bytes.
Dumping objects ->
{3835233} normal block at 0x00000246D1E914F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x00000246D1E91250, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x00000246D1E91330, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835200} normal block at 0x00000246D1E90CA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835189} normal block at 0x00000246D1E911E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835158} normal block at 0x00000246D1F86820, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835147} normal block at 0x00000246D1F9DF90, 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) : {3835144} normal block at 0x00000246D02AA420, 8 bytes long.
 Data: <   &#208;F   > 00 00 20 D0 46 02 00 00 
{3834540} normal block at 0x00000246D1F9DEE0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x00000246D02AA3D0, 8 bytes long.
 Data: <p&#235;&#233;&#209;F   > 70 EB E9 D1 46 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000246D02B4010, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000246D029AD20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000246D02B5370, 16 bytes long.
 Data: <( +&#208;F           > 28 05 2B D0 46 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000246D02B5B90, 16 bytes long.
 Data: <  +&#208;F           > 00 05 2B D0 46 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000246D02B10D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000246D02B5C80, 16 bytes long.
 Data: <&#216; +&#208;F           > D8 04 2B D0 46 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000246D02B52D0, 16 bytes long.
 Data: <&#176; +&#208;F           > B0 04 2B D0 46 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000246D02B5C30, 16 bytes long.
 Data: <  +&#208;F           > 88 04 2B D0 46 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000246D02B5280, 16 bytes long.
 Data: <` +&#208;F           > 60 04 2B D0 46 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000246D02B0920, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000246D02B5D20, 16 bytes long.
 Data: <&#200;&#250;)&#208;F           > C8 FA 29 D0 46 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000246D02B1910, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000246D02B5B40, 16 bytes long.
 Data: <&#160;&#250;)&#208;F           > A0 FA 29 D0 46 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000246D02B5230, 16 bytes long.
 Data: <x&#250;)&#208;F           > 78 FA 29 D0 46 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000246D02B5690, 16 bytes long.
 Data: <P&#250;)&#208;F           > 50 FA 29 D0 46 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000246D02B59B0, 16 bytes long.
 Data: <(&#250;)&#208;F           > 28 FA 29 D0 46 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000246D02B5140, 16 bytes long.
 Data: < &#250;)&#208;F           > 00 FA 29 D0 46 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000246D02B5AF0, 16 bytes long.
 Data: <&#216;&#249;)&#208;F           > D8 F9 29 D0 46 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000246D02B0FB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000246D02B5320, 16 bytes long.
 Data: <&#176;&#249;)&#208;F           > B0 F9 29 D0 46 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000246D029F9B0, 320 bytes long.
 Data: < S+&#208;F   &#176; +&#208;F   > 20 53 2B D0 46 02 00 00 B0 0F 2B D0 46 02 00 00 
{275} normal block at 0x00000246D02B5910, 16 bytes long.
 Data: <@ +&#208;F           > 40 04 2B D0 46 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000246D02B5D70, 16 bytes long.
 Data: <  +&#208;F           > 18 04 2B D0 46 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000246D02B1430, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000246D02B5640, 16 bytes long.
 Data: <&#240; +&#208;F           > F0 03 2B D0 46 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000246D02B1850, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000246D02B5F00, 16 bytes long.
 Data: <8 +&#208;F           > 38 03 2B D0 46 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000246D02B5870, 16 bytes long.
 Data: <  +&#208;F           > 10 03 2B D0 46 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000246D02B57D0, 16 bytes long.
 Data: <&#232; +&#208;F           > E8 02 2B D0 46 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000246D02B5550, 16 bytes long.
 Data: <&#192; +&#208;F           > C0 02 2B D0 46 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000246D02B5190, 16 bytes long.
 Data: <  +&#208;F           > 98 02 2B D0 46 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000246D02B58C0, 16 bytes long.
 Data: <p +&#208;F           > 70 02 2B D0 46 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000246D02B5E10, 16 bytes long.
 Data: <  +&#208;F           > 00 0A 2B D0 46 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000246D02B0A00, 40 bytes long.
 Data: < ^+&#208;F    h&#248;&#209;F   > 10 5E 2B D0 46 02 00 00 20 68 F8 D1 46 02 00 00 
{261} normal block at 0x00000246D02B5E60, 16 bytes long.
 Data: <P +&#208;F           > 50 02 2B D0 46 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000246D02B5780, 16 bytes long.
 Data: <( +&#208;F           > 28 02 2B D0 46 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000246D02B1010, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000246D02B5730, 16 bytes long.
 Data: <  +&#208;F           > 00 02 2B D0 46 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000246D02B0200, 992 bytes long.
 Data: <0W+&#208;F     +&#208;F   > 30 57 2B D0 46 02 00 00 10 10 2B D0 46 02 00 00 
{93} normal block at 0x00000246D02B1310, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000246D02AA6F0, 16 bytes long.
 Data: <&#208; +&#208;F           > D0 07 2B D0 46 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000246D02B07D0, 40 bytes long.
 Data: <&#240;&#166;*&#208;F     +&#208;F   > F0 A6 2A D0 46 02 00 00 10 13 2B D0 46 02 00 00 
{70} normal block at 0x00000246D02AA970, 16 bytes long.
 Data: < &#234; Y&#246;           > 80 EA 1D 59 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000246D02AA1F0, 16 bytes long.
 Data: <@&#233; Y&#246;           > 40 E9 1D 59 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000246D02AA510, 16 bytes long.
 Data: <&#248;W Y&#246;           > F8 57 1A 59 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000246D02AA380, 16 bytes long.
 Data: <&#216;W Y&#246;           > D8 57 1A 59 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000246D02A9F70, 16 bytes long.
 Data: <P  Y&#246;           > 50 04 1A 59 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000246D02AA1A0, 16 bytes long.
 Data: <0  Y&#246;           > 30 04 1A 59 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000246D02A9F20, 16 bytes long.
 Data: <&#224;  Y&#246;           > E0 02 1A 59 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000246D02AAAB0, 16 bytes long.
 Data: <   Y&#246;           > 10 04 1A 59 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000246D02AA330, 16 bytes long.
 Data: <p  Y&#246;           > 70 04 1A 59 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000246D02AAA60, 16 bytes long.
 Data: < &#192; Y&#246;           > 18 C0 18 59 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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