Task 38653958

Name test_526-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND6658_0
Workunit 31597821
Created 24 Oct 2026, 6:27:08 UTC
Sent 24 Oct 2026, 6:30:25 UTC
Report deadline 29 Oct 2026, 6:30:25 UTC
Received 24 Oct 2026, 8:28:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 441672
Run time 1 hours 15 min 41 sec
CPU time 1 hours 13 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,258.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 703.50 MB
Peak swap size 6.71 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:13:03 (31984): wrapper (7.9.26016): starting
00:13:03 (31984): 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
00:13:04 (31984): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:13:04 (31984): 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\1\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\1\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
01:27:57 (31984): C:/Windows/system32/cmd.exe exited; CPU time 4412.171875
01:27:57 (31984): called boinc_finish(0)
0 bytes in 0 Free Blocks.
646 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: 79157135 bytes.
Dumping objects ->
{3835633} normal block at 0x0000026164EDF6E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835622} normal block at 0x0000026164EDF050, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835611} normal block at 0x0000026164EDF2F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835600} normal block at 0x00000261632A78C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835589} normal block at 0x00000261632A7850, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835558} normal block at 0x0000026164F28130, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x0000026164FB6110, 195 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) : {3835544} normal block at 0x000002616329FCE0, 8 bytes long.
 Data: <  sca   > 00 00 73 63 61 02 00 00 
{3834742} normal block at 0x0000026164FB6240, 195 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x00000261632A00F0, 8 bytes long.
 Data: < l&#248;da   > 20 6C F8 64 61 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000261632A0D40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000026163298690, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x00000261632A8950, 16 bytes long.
 Data: <x&#142;*ca           > 78 8E 2A 63 61 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000261632A7D20, 16 bytes long.
 Data: <P&#142;*ca           > 50 8E 2A 63 61 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000261632A2C60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x00000261632A8040, 16 bytes long.
 Data: <(&#142;*ca           > 28 8E 2A 63 61 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000261632A7F00, 16 bytes long.
 Data: < &#142;*ca           > 00 8E 2A 63 61 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000261632A8540, 16 bytes long.
 Data: <&#216; *ca           > D8 8D 2A 63 61 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000261632A8450, 16 bytes long.
 Data: <&#176; *ca           > B0 8D 2A 63 61 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000261632A7930, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x00000261632A8400, 16 bytes long.
 Data: <&#216;&#182;)ca           > D8 B6 29 63 61 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000261632A2900, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x00000261632A83B0, 16 bytes long.
 Data: <&#176;&#182;)ca           > B0 B6 29 63 61 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000261632A8360, 16 bytes long.
 Data: < &#182;)ca           > 88 B6 29 63 61 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000261632A8720, 16 bytes long.
 Data: <`&#182;)ca           > 60 B6 29 63 61 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000261632A84F0, 16 bytes long.
 Data: <8&#182;)ca           > 38 B6 29 63 61 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000261632A89F0, 16 bytes long.
 Data: < &#182;)ca           > 10 B6 29 63 61 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000261632A86D0, 16 bytes long.
 Data: <&#232;&#181;)ca           > E8 B5 29 63 61 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000261632A21E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x00000261632A7FF0, 16 bytes long.
 Data: <&#192;&#181;)ca           > C0 B5 29 63 61 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002616329B5C0, 320 bytes long.
 Data: <&#240; *ca   &#224;!*ca   > F0 7F 2A 63 61 02 00 00 E0 21 2A 63 61 02 00 00 
{279} normal block at 0x00000261632A8270, 16 bytes long.
 Data: <  *ca           > 90 8D 2A 63 61 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000261632A8630, 16 bytes long.
 Data: <h *ca           > 68 8D 2A 63 61 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000261632A2A20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x00000261632A8220, 16 bytes long.
 Data: <@ *ca           > 40 8D 2A 63 61 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000261632A2840, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x00000261632A84A0, 16 bytes long.
 Data: < &#140;*ca           > 88 8C 2A 63 61 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000261632A8090, 16 bytes long.
 Data: <`&#140;*ca           > 60 8C 2A 63 61 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000261632A7CD0, 16 bytes long.
 Data: <8&#140;*ca           > 38 8C 2A 63 61 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000261632A7FA0, 16 bytes long.
 Data: < &#140;*ca           > 10 8C 2A 63 61 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000261632A7BE0, 16 bytes long.
 Data: <&#232;&#139;*ca           > E8 8B 2A 63 61 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000261632A7C80, 16 bytes long.
 Data: <&#192;&#139;*ca           > C0 8B 2A 63 61 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000261632A8180, 16 bytes long.
 Data: <&#240;s*ca           > F0 73 2A 63 61 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000261632A73F0, 40 bytes long.
 Data: <  *ca   0 &#242;da   > 80 81 2A 63 61 02 00 00 30 81 F2 64 61 02 00 00 
{265} normal block at 0x00000261632A7F50, 16 bytes long.
 Data: <&#160;&#139;*ca           > A0 8B 2A 63 61 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000261632A8310, 16 bytes long.
 Data: <x&#139;*ca           > 78 8B 2A 63 61 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000261632A2BA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x00000261632A81D0, 16 bytes long.
 Data: <P&#139;*ca           > 50 8B 2A 63 61 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000261632A8B50, 992 bytes long.
 Data: <&#208; *ca   &#160;+*ca   > D0 81 2A 63 61 02 00 00 A0 2B 2A 63 61 02 00 00 
{97} normal block at 0x00000261632A24E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000002616329F970, 16 bytes long.
 Data: <&#160;y*ca           > A0 79 2A 63 61 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000261632A79A0, 40 bytes long.
 Data: <p&#249;)ca   &#224;$*ca   > 70 F9 29 63 61 02 00 00 E0 24 2A 63 61 02 00 00 
{74} normal block at 0x000002616329FF60, 16 bytes long.
 Data: < &#234;B &#247;           > 80 EA 42 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002616329F8D0, 16 bytes long.
 Data: <@&#233;B &#247;           > 40 E9 42 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000261632A0190, 16 bytes long.
 Data: <&#248;W? &#247;           > F8 57 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002616329FC90, 16 bytes long.
 Data: <&#216;W? &#247;           > D8 57 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002616329FC40, 16 bytes long.
 Data: <P ? &#247;           > 50 04 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000261632A0640, 16 bytes long.
 Data: <0 ? &#247;           > 30 04 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002616329F830, 16 bytes long.
 Data: <&#224; ? &#247;           > E0 02 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000261632A0500, 16 bytes long.
 Data: <  ? &#247;           > 10 04 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000261632A0050, 16 bytes long.
 Data: <p ? &#247;           > 70 04 3F 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002616329FA60, 16 bytes long.
 Data: < &#192;= &#247;           > 18 C0 3D 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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