Task 38698026

Name test_294-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND3690_0
Workunit 31638561
Created 2 Nov 2026, 2:06:23 UTC
Sent 2 Nov 2026, 2:06:27 UTC
Report deadline 7 Nov 2026, 2:06:27 UTC
Received 2 Nov 2026, 3:12:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 617582
Run time 57 min 40 sec
CPU time 50 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 41,936.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 713.05 MB
Peak swap size 6.95 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:16:16 (17788): wrapper (7.9.26016): starting
03:16:16 (17788): 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
03:16:21 (17788): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:16:21 (17788): 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
04:12:26 (17788): C:/Windows/system32/cmd.exe exited; CPU time 3002.625000
04:12:26 (17788): 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: 65088817 bytes.
Dumping objects ->
{3835212} normal block at 0x000001516E0AD500, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x000001516E0AE0D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x000001516C3E4F40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835179} normal block at 0x000001516C3E5250, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835168} normal block at 0x000001516C3E55D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835137} normal block at 0x000001516E0F9600, 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) : {3835124} normal block at 0x000001516C3DF7B0, 8 bytes long.
 Data: <  &#134;lQ   > 00 00 86 6C 51 01 00 00 
{3833967} normal block at 0x000001516C3DF0D0, 8 bytes long.
 Data: <&#160;@ nQ   > A0 40 18 6E 51 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001516C3E18E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001516C3D5D10, 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 0x000001516C3E5E80, 16 bytes long.
 Data: <8j>lQ           > 38 6A 3E 6C 51 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001516C3E5980, 16 bytes long.
 Data: < j>lQ           > 10 6A 3E 6C 51 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001516C3E0130, 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 0x000001516C3E6100, 16 bytes long.
 Data: <&#232;i>lQ           > E8 69 3E 6C 51 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001516C3E6650, 16 bytes long.
 Data: <&#192;i>lQ           > C0 69 3E 6C 51 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001516C3E5840, 16 bytes long.
 Data: < i>lQ           > 98 69 3E 6C 51 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001516C3E6600, 16 bytes long.
 Data: <pi>lQ           > 70 69 3E 6C 51 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001516C3E53A0, 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 0x000001516C3E6060, 16 bytes long.
 Data: <H =lQ           > 48 90 3D 6C 51 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001516C3E0250, 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 0x000001516C3E6470, 16 bytes long.
 Data: <  =lQ           > 20 90 3D 6C 51 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001516C3E5E30, 16 bytes long.
 Data: <&#248; =lQ           > F8 8F 3D 6C 51 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001516C3E5DE0, 16 bytes long.
 Data: <&#208; =lQ           > D0 8F 3D 6C 51 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001516C3E62E0, 16 bytes long.
 Data: <&#168; =lQ           > A8 8F 3D 6C 51 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001516C3E5930, 16 bytes long.
 Data: <  =lQ           > 80 8F 3D 6C 51 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001516C3E5FC0, 16 bytes long.
 Data: <X =lQ           > 58 8F 3D 6C 51 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001516C3E0A30, 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 0x000001516C3E5750, 16 bytes long.
 Data: <0 =lQ           > 30 8F 3D 6C 51 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001516C3D8F30, 320 bytes long.
 Data: <PW>lQ   0 >lQ   > 50 57 3E 6C 51 01 00 00 30 0A 3E 6C 51 01 00 00 
{279} normal block at 0x000001516C3E6240, 16 bytes long.
 Data: <Pi>lQ           > 50 69 3E 6C 51 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001516C3E61F0, 16 bytes long.
 Data: <(i>lQ           > 28 69 3E 6C 51 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001516C3E0BB0, 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 0x000001516C3E6420, 16 bytes long.
 Data: < i>lQ           > 00 69 3E 6C 51 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001516C3E03D0, 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 0x000001516C3E5D90, 16 bytes long.
 Data: <Hh>lQ           > 48 68 3E 6C 51 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001516C3E58E0, 16 bytes long.
 Data: < h>lQ           > 20 68 3E 6C 51 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001516C3E6290, 16 bytes long.
 Data: <&#248;g>lQ           > F8 67 3E 6C 51 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001516C3E5CF0, 16 bytes long.
 Data: <&#208;g>lQ           > D0 67 3E 6C 51 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001516C3E5ED0, 16 bytes long.
 Data: <&#168;g>lQ           > A8 67 3E 6C 51 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001516C3E65B0, 16 bytes long.
 Data: < g>lQ           > 80 67 3E 6C 51 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001516C3E61A0, 16 bytes long.
 Data: <&#224;Q>lQ           > E0 51 3E 6C 51 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001516C3E51E0, 40 bytes long.
 Data: <&#160;a>lQ    &#150; nQ   > A0 61 3E 6C 51 01 00 00 00 96 0F 6E 51 01 00 00 
{265} normal block at 0x000001516C3E5BB0, 16 bytes long.
 Data: <`g>lQ           > 60 67 3E 6C 51 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001516C3E66A0, 16 bytes long.
 Data: <8g>lQ           > 38 67 3E 6C 51 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001516C3E0610, 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 0x000001516C3E5C50, 16 bytes long.
 Data: < g>lQ           > 10 67 3E 6C 51 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001516C3E6710, 992 bytes long.
 Data: <P\>lQ     >lQ   > 50 5C 3E 6C 51 01 00 00 10 06 3E 6C 51 01 00 00 
{97} normal block at 0x000001516C3E0970, 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 0x000001516C3DF850, 16 bytes long.
 Data: < G=lQ           > 20 47 3D 6C 51 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001516C3D4720, 40 bytes long.
 Data: <P&#248;=lQ   p	>lQ   > 50 F8 3D 6C 51 01 00 00 70 09 3E 6C 51 01 00 00 
{74} normal block at 0x000001516C3DF2B0, 16 bytes long.
 Data: < &#234;&#217;{&#247;           > 80 EA D9 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001516C3DFC10, 16 bytes long.
 Data: <@&#233;&#217;{&#247;           > 40 E9 D9 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001516C3DF490, 16 bytes long.
 Data: <&#248;W&#214;{&#247;           > F8 57 D6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001516C3DF030, 16 bytes long.
 Data: <&#216;W&#214;{&#247;           > D8 57 D6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001516C3DFB20, 16 bytes long.
 Data: <P &#214;{&#247;           > 50 04 D6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001516C3DF800, 16 bytes long.
 Data: <0 &#214;{&#247;           > 30 04 D6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001516C3DFA30, 16 bytes long.
 Data: <&#224; &#214;{&#247;           > E0 02 D6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001516C3DF260, 16 bytes long.
 Data: <  &#214;{&#247;           > 10 04 D6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001516C3DF620, 16 bytes long.
 Data: <p &#214;{&#247;           > 70 04 D6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001516C3DF760, 16 bytes long.
 Data: < &#192;&#212;{&#247;           > 18 C0 D4 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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