Task 38689283

Name test_400-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND7124_0
Workunit 31630552
Created 28 Oct 2026, 19:51:55 UTC
Sent 28 Oct 2026, 19:51:59 UTC
Report deadline 2 Nov 2026, 19:51:59 UTC
Received 28 Oct 2026, 20:15:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652783
Run time 20 min 45 sec
CPU time 18 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,338.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 725.46 MB
Peak swap size 9.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:54:14 (24780): wrapper (7.9.26016): starting
15:54:14 (24780): 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
15:54:15 (24780): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:54:15 (24780): 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\6\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\6\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
16:14:10 (24780): C:/Windows/system32/cmd.exe exited; CPU time 1124.187500
16:14:10 (24780): 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: 20945543 bytes.
Dumping objects ->
{3835237} normal block at 0x000002481004D8B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x000002481004D060, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x000002481004D7D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835204} normal block at 0x000002480E3E4C60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x000002480E3E4790, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835162} normal block at 0x0000024810096280, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835151} normal block at 0x00000248100AE470, 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) : {3835148} normal block at 0x000002480E3E0BF0, 8 bytes long.
 Data: <  7 H   > 00 00 37 0E 48 02 00 00 
{3834547} normal block at 0x00000248100AE9F0, 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 0x000002480E3E0EC0, 8 bytes long.
 Data: < I  H   > 90 49 0F 10 48 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002480E3D68E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002480E3D7AC0, 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 0x000002480E3E64A0, 16 bytes long.
 Data: < U> H           > 98 55 3E 0E 48 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002480E3E58C0, 16 bytes long.
 Data: <pU> H           > 70 55 3E 0E 48 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002480E3E0620, 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 0x000002480E3E5DC0, 16 bytes long.
 Data: <HU> H           > 48 55 3E 0E 48 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002480E3E5A50, 16 bytes long.
 Data: < U> H           > 20 55 3E 0E 48 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002480E3E5780, 16 bytes long.
 Data: <&#248;T> H           > F8 54 3E 0E 48 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002480E3E5820, 16 bytes long.
 Data: <&#208;T> H           > D0 54 3E 0E 48 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002480E3E4870, 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 0x000002480E3E5FA0, 16 bytes long.
 Data: <&#168;&#184;< H           > A8 B8 3C 0E 48 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002480E3DFF00, 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 0x000002480E3E5F50, 16 bytes long.
 Data: < &#184;< H           > 80 B8 3C 0E 48 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002480E3E63B0, 16 bytes long.
 Data: <X&#184;< H           > 58 B8 3C 0E 48 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002480E3E6450, 16 bytes long.
 Data: <0&#184;< H           > 30 B8 3C 0E 48 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002480E3E5A00, 16 bytes long.
 Data: < &#184;< H           > 08 B8 3C 0E 48 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002480E3E6400, 16 bytes long.
 Data: <&#224;&#183;< H           > E0 B7 3C 0E 48 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002480E3E5CD0, 16 bytes long.
 Data: <&#184;&#183;< H           > B8 B7 3C 0E 48 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002480E3E0380, 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 0x000002480E3E5F00, 16 bytes long.
 Data: < &#183;< H           > 90 B7 3C 0E 48 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002480E3CB790, 320 bytes long.
 Data: < _> H     > H   > 00 5F 3E 0E 48 02 00 00 80 03 3E 0E 48 02 00 00 
{275} normal block at 0x000002480E3E6180, 16 bytes long.
 Data: <&#176;T> H           > B0 54 3E 0E 48 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002480E3E6270, 16 bytes long.
 Data: < T> H           > 88 54 3E 0E 48 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002480E3E0440, 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 0x000002480E3E5870, 16 bytes long.
 Data: <`T> H           > 60 54 3E 0E 48 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002480E3E0320, 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 0x000002480E3E5E10, 16 bytes long.
 Data: <&#168;S> H           > A8 53 3E 0E 48 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002480E3E59B0, 16 bytes long.
 Data: < S> H           > 80 53 3E 0E 48 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002480E3E60E0, 16 bytes long.
 Data: <XS> H           > 58 53 3E 0E 48 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002480E3E5EB0, 16 bytes long.
 Data: <0S> H           > 30 53 3E 0E 48 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002480E3E0970, 16 bytes long.
 Data: < S> H           > 08 53 3E 0E 48 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002480E3E0920, 16 bytes long.
 Data: <&#224;R> H           > E0 52 3E 0E 48 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002480E3E1550, 16 bytes long.
 Data: <&#208;L> H           > D0 4C 3E 0E 48 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002480E3E4CD0, 40 bytes long.
 Data: <P > H    b	 H   > 50 15 3E 0E 48 02 00 00 80 62 09 10 48 02 00 00 
{261} normal block at 0x000002480E3E1410, 16 bytes long.
 Data: <&#192;R> H           > C0 52 3E 0E 48 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002480E3E1370, 16 bytes long.
 Data: < R> H           > 98 52 3E 0E 48 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002480E3DF960, 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 0x000002480E3E0CE0, 16 bytes long.
 Data: <pR> H           > 70 52 3E 0E 48 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002480E3E5270, 992 bytes long.
 Data: <&#224; > H   `&#249;= H   > E0 0C 3E 0E 48 02 00 00 60 F9 3D 0E 48 02 00 00 
{93} normal block at 0x000002480E3E0140, 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 0x000002480E3E0F60, 16 bytes long.
 Data: <&#160;J> H           > A0 4A 3E 0E 48 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002480E3E4AA0, 40 bytes long.
 Data: <` > H   @ > H   > 60 0F 3E 0E 48 02 00 00 40 01 3E 0E 48 02 00 00 
{70} normal block at 0x000002480E3E0DD0, 16 bytes long.
 Data: < &#234;<M&#247;           > 80 EA 3C 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002480E3E1050, 16 bytes long.
 Data: <@&#233;<M&#247;           > 40 E9 3C 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002480E3E1140, 16 bytes long.
 Data: <&#248;W9M&#247;           > F8 57 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002480E3E0E20, 16 bytes long.
 Data: <&#216;W9M&#247;           > D8 57 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002480E3E1690, 16 bytes long.
 Data: <P 9M&#247;           > 50 04 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002480E3E11E0, 16 bytes long.
 Data: <0 9M&#247;           > 30 04 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002480E3E1000, 16 bytes long.
 Data: <&#224; 9M&#247;           > E0 02 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002480E3E0AB0, 16 bytes long.
 Data: <  9M&#247;           > 10 04 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002480E3E0D80, 16 bytes long.
 Data: <p 9M&#247;           > 70 04 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002480E3E1640, 16 bytes long.
 Data: < &#192;7M&#247;           > 18 C0 37 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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