Task 38686006

Name test_63-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND3110_0
Workunit 31627455
Created 28 Oct 2026, 0:10:08 UTC
Sent 28 Oct 2026, 0:10:19 UTC
Report deadline 2 Nov 2026, 0:10:19 UTC
Received 28 Oct 2026, 1:04:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648534
Run time 24 min 35 sec
CPU time 24 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,774.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 749.18 MB
Peak swap size 11.54 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:37:41 (19924): wrapper (7.9.26016): starting
01:37:41 (19924): 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
01:37:42 (19924): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:37:42 (19924): 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\16\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\16\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
02:03:54 (19924): C:/Windows/system32/cmd.exe exited; CPU time 1475.937500
02:03:54 (19924): 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: 35373709 bytes.
Dumping objects ->
{3835281} normal block at 0x00000166AEA3B0D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835270} normal block at 0x00000166AEA3B300, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x00000166AEA3AB90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835248} normal block at 0x00000166ACCD3110, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x00000166ACCD3030, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835206} normal block at 0x00000166AEA88B20, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x00000166AEA9CAA0, 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) : {3835192} normal block at 0x00000166ACCCDF70, 8 bytes long.
 Data: <  &#202;&#172;f   > 00 00 CA AC 66 01 00 00 
{3834568} normal block at 0x00000166AEA9CEC0, 102 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 0x00000166ACCCEA60, 8 bytes long.
 Data: <@$&#177;&#174;f   > 40 24 B1 AE 66 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000166ACCC6240, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000166ACCC7370, 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 0x00000166ACCD41A0, 16 bytes long.
 Data: <&#248;H&#205;&#172;f           > F8 48 CD AC 66 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000166ACCD4420, 16 bytes long.
 Data: <&#208;H&#205;&#172;f           > D0 48 CD AC 66 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000166ACCCFD80, 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 0x00000166ACCD4150, 16 bytes long.
 Data: <&#168;H&#205;&#172;f           > A8 48 CD AC 66 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000166ACCD3C00, 16 bytes long.
 Data: < H&#205;&#172;f           > 80 48 CD AC 66 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000166ACCD3F20, 16 bytes long.
 Data: <XH&#205;&#172;f           > 58 48 CD AC 66 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000166ACCD43D0, 16 bytes long.
 Data: <0H&#205;&#172;f           > 30 48 CD AC 66 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000166ACCD3260, 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 0x00000166ACCD4380, 16 bytes long.
 Data: <&#184;&#221;&#204;&#172;f           > B8 DD CC AC 66 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000166ACCCF300, 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 0x00000166ACCD3A20, 16 bytes long.
 Data: < &#221;&#204;&#172;f           > 90 DD CC AC 66 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000166ACCD3CF0, 16 bytes long.
 Data: <h&#221;&#204;&#172;f           > 68 DD CC AC 66 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000166ACCD3ED0, 16 bytes long.
 Data: <@&#221;&#204;&#172;f           > 40 DD CC AC 66 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000166ACCD3E30, 16 bytes long.
 Data: < &#221;&#204;&#172;f           > 18 DD CC AC 66 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000166ACCD4060, 16 bytes long.
 Data: <&#240;&#220;&#204;&#172;f           > F0 DC CC AC 66 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000166ACCD3E80, 16 bytes long.
 Data: <&#200;&#220;&#204;&#172;f           > C8 DC CC AC 66 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000166ACCCFB40, 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 0x00000166ACCD4240, 16 bytes long.
 Data: <&#160;&#220;&#204;&#172;f           > A0 DC CC AC 66 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000166ACCCDCA0, 320 bytes long.
 Data: <@B&#205;&#172;f   @&#251;&#204;&#172;f   > 40 42 CD AC 66 01 00 00 40 FB CC AC 66 01 00 00 
{277} normal block at 0x00000166ACCD3DE0, 16 bytes long.
 Data: < H&#205;&#172;f           > 10 48 CD AC 66 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000166ACCD4100, 16 bytes long.
 Data: <&#232;G&#205;&#172;f           > E8 47 CD AC 66 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000166ACCCFAE0, 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 0x00000166ACCD3CA0, 16 bytes long.
 Data: <&#192;G&#205;&#172;f           > C0 47 CD AC 66 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000166ACCCF480, 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 0x00000166ACCD38E0, 16 bytes long.
 Data: < G&#205;&#172;f           > 08 47 CD AC 66 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000166ACCD4330, 16 bytes long.
 Data: <&#224;F&#205;&#172;f           > E0 46 CD AC 66 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000166ACCD3D40, 16 bytes long.
 Data: <&#184;F&#205;&#172;f           > B8 46 CD AC 66 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000166ACCD3B60, 16 bytes long.
 Data: < F&#205;&#172;f           > 90 46 CD AC 66 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000166ACCD39D0, 16 bytes long.
 Data: <hF&#205;&#172;f           > 68 46 CD AC 66 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000166ACCD3D90, 16 bytes long.
 Data: <@F&#205;&#172;f           > 40 46 CD AC 66 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000166ACCD42E0, 16 bytes long.
 Data: < 4&#205;&#172;f           > 20 34 CD AC 66 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000166ACCD3420, 40 bytes long.
 Data: <&#224;B&#205;&#172;f    &#139;&#168;&#174;f   > E0 42 CD AC 66 01 00 00 20 8B A8 AE 66 01 00 00 
{263} normal block at 0x00000166ACCD3C50, 16 bytes long.
 Data: < F&#205;&#172;f           > 20 46 CD AC 66 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000166ACCD3980, 16 bytes long.
 Data: <&#248;E&#205;&#172;f           > F8 45 CD AC 66 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000166ACCCF780, 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 0x00000166ACCD3BB0, 16 bytes long.
 Data: <&#208;E&#205;&#172;f           > D0 45 CD AC 66 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000166ACCD45D0, 992 bytes long.
 Data: <&#176;;&#205;&#172;f    &#247;&#204;&#172;f   > B0 3B CD AC 66 01 00 00 80 F7 CC AC 66 01 00 00 
{95} normal block at 0x00000166ACCCF7E0, 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 0x00000166ACCCEC90, 16 bytes long.
 Data: <@3&#205;&#172;f           > 40 33 CD AC 66 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000166ACCD3340, 40 bytes long.
 Data: < &#236;&#204;&#172;f   &#224;&#247;&#204;&#172;f   > 90 EC CC AC 66 01 00 00 E0 F7 CC AC 66 01 00 00 
{72} normal block at 0x00000166ACCCE9C0, 16 bytes long.
 Data: < &#234; i&#246;           > 80 EA 01 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000166ACCCDED0, 16 bytes long.
 Data: <@&#233; i&#246;           > 40 E9 01 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000166ACCCE1F0, 16 bytes long.
 Data: <&#248;W&#254;h&#246;           > F8 57 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000166ACCCE380, 16 bytes long.
 Data: <&#216;W&#254;h&#246;           > D8 57 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000166ACCCE5B0, 16 bytes long.
 Data: <P &#254;h&#246;           > 50 04 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000166ACCCE740, 16 bytes long.
 Data: <0 &#254;h&#246;           > 30 04 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000166ACCCE6A0, 16 bytes long.
 Data: <&#224; &#254;h&#246;           > E0 02 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000166ACCCE0B0, 16 bytes long.
 Data: <  &#254;h&#246;           > 10 04 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000166ACCCE060, 16 bytes long.
 Data: <p &#254;h&#246;           > 70 04 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000166ACCCEBF0, 16 bytes long.
 Data: < &#192;&#252;h&#246;           > 18 C0 FC 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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