Task 38687315

Name test_999-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND0548_0
Workunit 31628708
Created 28 Oct 2026, 7:06:20 UTC
Sent 28 Oct 2026, 7:06:24 UTC
Report deadline 2 Nov 2026, 7:06:24 UTC
Received 28 Oct 2026, 7:33:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 580417
Run time 26 min 11 sec
CPU time 24 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,066.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 721.75 MB
Peak swap size 6.78 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
03:07:30 (21528): wrapper (7.9.26016): starting
03:07:30 (21528): 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
03:07:32 (21528): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:07:32 (21528): 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\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 'C:\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
03:32:48 (21528): C:/Windows/system32/cmd.exe exited; CPU time 1497.515625
03:32:48 (21528): 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: 27026797 bytes.
Dumping objects ->
{3835542} normal block at 0x000002979D2A6340, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835531} normal block at 0x000002979D2A6810, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835520} normal block at 0x000002979D2A6420, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835509} normal block at 0x000002979D2A67A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835498} normal block at 0x000002979D2A63B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835467} normal block at 0x000002979EF951F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x000002979EFAF470, 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) : {3835453} normal block at 0x000002979D29D4C0, 8 bytes long.
 Data: <  n &#151;   > 00 00 6E 9D 97 02 00 00 
{3834690} normal block at 0x000002979EFAEB80, 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 0x000002979D29DC90, 8 bytes long.
 Data: <0&#224;&#250;&#158;&#151;   > 30 E0 FA 9E 97 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002979D2A1A90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002979D295FE0, 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 0x000002979D2A57C0, 16 bytes long.
 Data: <&#168;`* &#151;           > A8 60 2A 9D 97 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002979D2A53B0, 16 bytes long.
 Data: < `* &#151;           > 80 60 2A 9D 97 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002979D29F690, 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 0x000002979D2A5540, 16 bytes long.
 Data: <X`* &#151;           > 58 60 2A 9D 97 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002979D2A4E10, 16 bytes long.
 Data: <0`* &#151;           > 30 60 2A 9D 97 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002979D2A52C0, 16 bytes long.
 Data: < `* &#151;           > 08 60 2A 9D 97 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002979D2A5310, 16 bytes long.
 Data: <&#224;_* &#151;           > E0 5F 2A 9D 97 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002979D2A6880, 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 0x000002979D2A4FA0, 16 bytes long.
 Data: <  ) &#151;           > 08 8F 29 9D 97 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002979D29FED0, 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 0x000002979D2A5AE0, 16 bytes long.
 Data: <&#224;&#142;) &#151;           > E0 8E 29 9D 97 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002979D2A51D0, 16 bytes long.
 Data: <&#184;&#142;) &#151;           > B8 8E 29 9D 97 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002979D2A5130, 16 bytes long.
 Data: < &#142;) &#151;           > 90 8E 29 9D 97 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002979D2A50E0, 16 bytes long.
 Data: <h&#142;) &#151;           > 68 8E 29 9D 97 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002979D2A5A90, 16 bytes long.
 Data: <@&#142;) &#151;           > 40 8E 29 9D 97 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002979D2A5180, 16 bytes long.
 Data: < &#142;) &#151;           > 18 8E 29 9D 97 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002979D29FE70, 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 0x000002979D2A5090, 16 bytes long.
 Data: <&#240; ) &#151;           > F0 8D 29 9D 97 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002979D298DF0, 320 bytes long.
 Data: < P* &#151;   p&#254;) &#151;   > 90 50 2A 9D 97 02 00 00 70 FE 29 9D 97 02 00 00 
{275} normal block at 0x000002979D2A5450, 16 bytes long.
 Data: <&#192;_* &#151;           > C0 5F 2A 9D 97 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002979D2A4F50, 16 bytes long.
 Data: < _* &#151;           > 98 5F 2A 9D 97 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002979D29F9F0, 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 0x000002979D2A5B80, 16 bytes long.
 Data: <p_* &#151;           > 70 5F 2A 9D 97 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002979D29FAB0, 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 0x000002979D2A59F0, 16 bytes long.
 Data: <&#184;^* &#151;           > B8 5E 2A 9D 97 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002979D2A5360, 16 bytes long.
 Data: < ^* &#151;           > 90 5E 2A 9D 97 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002979D2A54F0, 16 bytes long.
 Data: <h^* &#151;           > 68 5E 2A 9D 97 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002979D2A59A0, 16 bytes long.
 Data: <@^* &#151;           > 40 5E 2A 9D 97 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002979D2A5900, 16 bytes long.
 Data: < ^* &#151;           > 18 5E 2A 9D 97 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002979D2A4E60, 16 bytes long.
 Data: <&#240;]* &#151;           > F0 5D 2A 9D 97 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002979D2A5270, 16 bytes long.
 Data: < &#228;( &#151;           > 90 E4 28 9D 97 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002979D28E490, 40 bytes long.
 Data: <pR* &#151;   &#240;Q&#249;&#158;&#151;   > 70 52 2A 9D 97 02 00 00 F0 51 F9 9E 97 02 00 00 
{261} normal block at 0x000002979D2A56D0, 16 bytes long.
 Data: <&#208;]* &#151;           > D0 5D 2A 9D 97 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002979D2A5BD0, 16 bytes long.
 Data: <&#168;]* &#151;           > A8 5D 2A 9D 97 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002979D29F6F0, 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 0x000002979D2A5220, 16 bytes long.
 Data: < ]* &#151;           > 80 5D 2A 9D 97 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002979D2A5D80, 992 bytes long.
 Data: < R* &#151;   &#240;&#246;) &#151;   > 20 52 2A 9D 97 02 00 00 F0 F6 29 9D 97 02 00 00 
{93} normal block at 0x000002979D29F0F0, 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 0x000002979D29DDD0, 16 bytes long.
 Data: <&#160;&#221;( &#151;           > A0 DD 28 9D 97 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002979D28DDA0, 40 bytes long.
 Data: <&#208;&#221;) &#151;   &#240;&#240;) &#151;   > D0 DD 29 9D 97 02 00 00 F0 F0 29 9D 97 02 00 00 
{70} normal block at 0x000002979D29D470, 16 bytes long.
 Data: < &#234;&#161;?&#247;           > 80 EA A1 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002979D29DC40, 16 bytes long.
 Data: <@&#233;&#161;?&#247;           > 40 E9 A1 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002979D29DFB0, 16 bytes long.
 Data: <&#248;W&#158;?&#247;           > F8 57 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002979D29D510, 16 bytes long.
 Data: <&#216;W&#158;?&#247;           > D8 57 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002979D29DBF0, 16 bytes long.
 Data: <P &#158;?&#247;           > 50 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002979D29D830, 16 bytes long.
 Data: <0 &#158;?&#247;           > 30 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002979D29DD80, 16 bytes long.
 Data: <&#224; &#158;?&#247;           > E0 02 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002979D29D330, 16 bytes long.
 Data: <  &#158;?&#247;           > 10 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002979D29DAB0, 16 bytes long.
 Data: <p &#158;?&#247;           > 70 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002979D29DD30, 16 bytes long.
 Data: < &#192;&#156;?&#247;           > 18 C0 9C 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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