Task 38669559

Name test_125-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND9807_0
Workunit 31611890
Created 25 Oct 2026, 14:55:03 UTC
Sent 25 Oct 2026, 14:55:10 UTC
Report deadline 30 Oct 2026, 14:55:10 UTC
Received 25 Oct 2026, 16:46:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648022
Run time 28 min 31 sec
CPU time 26 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 18,986.54 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 811.98 MB
Peak swap size 10.02 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:18:42 (18796): wrapper (7.9.26016): starting
18:18:42 (18796): 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
18:18:43 (18796): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:18:43 (18796): 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
18:46:12 (18796): C:/Windows/system32/cmd.exe exited; CPU time 1592.781250
18:46:12 (18796): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 47308357 bytes.
Dumping objects ->
{3835491} normal block at 0x0000015C33005470, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835480} normal block at 0x0000015C33005320, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835469} normal block at 0x0000015C33004EC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835458} normal block at 0x0000015C311F4D00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835447} normal block at 0x0000015C311F5010, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835416} normal block at 0x0000015C32FA65F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835403} normal block at 0x0000015C311EE2D0, 8 bytes long.
 Data: <   1\   > 00 00 18 31 5C 01 00 00 
{3833963} normal block at 0x0000015C311ED510, 8 bytes long.
 Data: < I 3\   > 90 49 03 33 5C 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000015C311F1B80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000015C311E6D00, 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 0x0000015C311F6560, 16 bytes long.
 Data: <&#168;m 1\           > A8 6D 1F 31 5C 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000015C311F64C0, 16 bytes long.
 Data: < m 1\           > 80 6D 1F 31 5C 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000015C311EFB10, 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 0x0000015C311F66A0, 16 bytes long.
 Data: <Xm 1\           > 58 6D 1F 31 5C 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000015C311F5B60, 16 bytes long.
 Data: <0m 1\           > 30 6D 1F 31 5C 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000015C311F6010, 16 bytes long.
 Data: < m 1\           > 08 6D 1F 31 5C 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000015C311F5D40, 16 bytes long.
 Data: <&#224;l 1\           > E0 6C 1F 31 5C 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000015C311F5320, 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 0x0000015C311F6240, 16 bytes long.
 Data: < &#147; 1\           > 18 93 1E 31 5C 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000015C311F0170, 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 0x0000015C311F6420, 16 bytes long.
 Data: <&#240;&#146; 1\           > F0 92 1E 31 5C 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000015C311F6830, 16 bytes long.
 Data: <&#200;&#146; 1\           > C8 92 1E 31 5C 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000015C311F61F0, 16 bytes long.
 Data: <&#160;&#146; 1\           > A0 92 1E 31 5C 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000015C311F5B10, 16 bytes long.
 Data: <x&#146; 1\           > 78 92 1E 31 5C 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000015C311F6510, 16 bytes long.
 Data: <P&#146; 1\           > 50 92 1E 31 5C 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015C311F6470, 16 bytes long.
 Data: <(&#146; 1\           > 28 92 1E 31 5C 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015C311EF4B0, 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 0x0000015C311F5AC0, 16 bytes long.
 Data: < &#146; 1\           > 00 92 1E 31 5C 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015C311E9200, 320 bytes long.
 Data: <&#192;Z 1\   &#176;&#244; 1\   > C0 5A 1F 31 5C 01 00 00 B0 F4 1E 31 5C 01 00 00 
{277} normal block at 0x0000015C311F6970, 16 bytes long.
 Data: <&#192;l 1\           > C0 6C 1F 31 5C 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000015C311F67E0, 16 bytes long.
 Data: < l 1\           > 98 6C 1F 31 5C 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000015C311EFC90, 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 0x0000015C311F6150, 16 bytes long.
 Data: <pl 1\           > 70 6C 1F 31 5C 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000015C311EFA50, 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 0x0000015C311F6920, 16 bytes long.
 Data: <&#184;k 1\           > B8 6B 1F 31 5C 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000015C311F65B0, 16 bytes long.
 Data: < k 1\           > 90 6B 1F 31 5C 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000015C311F5CA0, 16 bytes long.
 Data: <hk 1\           > 68 6B 1F 31 5C 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015C311F6740, 16 bytes long.
 Data: <@k 1\           > 40 6B 1F 31 5C 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000015C311F6380, 16 bytes long.
 Data: < k 1\           > 18 6B 1F 31 5C 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015C311F5CF0, 16 bytes long.
 Data: <&#240;j 1\           > F0 6A 1F 31 5C 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000015C311F5FC0, 16 bytes long.
 Data: < P 1\           > 80 50 1F 31 5C 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015C311F5080, 40 bytes long.
 Data: <&#192;_ 1\   &#240;e&#250;2\   > C0 5F 1F 31 5C 01 00 00 F0 65 FA 32 5C 01 00 00 
{263} normal block at 0x0000015C311F68D0, 16 bytes long.
 Data: <&#208;j 1\           > D0 6A 1F 31 5C 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000015C311F6330, 16 bytes long.
 Data: <&#168;j 1\           > A8 6A 1F 31 5C 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000015C311EFE10, 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 0x0000015C311F5F70, 16 bytes long.
 Data: < j 1\           > 80 6A 1F 31 5C 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000015C311F6A80, 992 bytes long.
 Data: <p_ 1\    &#254; 1\   > 70 5F 1F 31 5C 01 00 00 10 FE 1E 31 5C 01 00 00 
{95} normal block at 0x0000015C311EFBD0, 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 0x0000015C311EE280, 16 bytes long.
 Data: < T 1\           > 00 54 1F 31 5C 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000015C311F5400, 40 bytes long.
 Data: < &#226; 1\   &#208;&#251; 1\   > 80 E2 1E 31 5C 01 00 00 D0 FB 1E 31 5C 01 00 00 
{72} normal block at 0x0000015C311ED470, 16 bytes long.
 Data: < &#234;&#249;P&#246;           > 80 EA F9 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000015C311ED790, 16 bytes long.
 Data: <@&#233;&#249;P&#246;           > 40 E9 F9 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000015C311EE230, 16 bytes long.
 Data: <&#248;W&#246;P&#246;           > F8 57 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000015C311EDAB0, 16 bytes long.
 Data: <&#216;W&#246;P&#246;           > D8 57 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000015C311ED740, 16 bytes long.
 Data: <P &#246;P&#246;           > 50 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000015C311ED560, 16 bytes long.
 Data: <0 &#246;P&#246;           > 30 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000015C311EE1E0, 16 bytes long.
 Data: <&#224; &#246;P&#246;           > E0 02 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000015C311ED880, 16 bytes long.
 Data: <  &#246;P&#246;           > 10 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000015C311EE140, 16 bytes long.
 Data: <p &#246;P&#246;           > 70 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000015C311EDDD0, 16 bytes long.
 Data: < &#192;&#244;P&#246;           > 18 C0 F4 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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