Task 38668710

Name test_841-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND2316_1
Workunit 31611153
Created 25 Oct 2026, 12:32:52 UTC
Sent 25 Oct 2026, 12:33:04 UTC
Report deadline 30 Oct 2026, 12:33:04 UTC
Received 25 Oct 2026, 13:04:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 639137
Run time 30 min 43 sec
CPU time 28 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,451.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.95 MB
Peak swap size 8.31 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
16:34:53 (3340): wrapper (7.9.26016): starting
16:34:53 (3340): 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
16:34:55 (3340): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:34:55 (3340): 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\10\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\10\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
17:04:05 (3340): C:/Windows/system32/cmd.exe exited; CPU time 1682.781250
17:04:05 (3340): 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: 47766659 bytes.
Dumping objects ->
{3835387} normal block at 0x0000015621B3D5A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835376} normal block at 0x0000015621B3DE60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835365} normal block at 0x000001561FDF54C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835354} normal block at 0x000001561FDF53E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835343} normal block at 0x000001561FDF5370, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835312} normal block at 0x0000015621B864B0, 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) : {3835299} normal block at 0x000001561FDED5F0, 8 bytes long.
 Data: <  &#218; V   > 00 00 DA 1F 56 01 00 00 
{3833968} normal block at 0x000001561FDEDA00, 8 bytes long.
 Data: <`&#215;&#221; V   > 60 D7 DD 1F 56 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001561FDF0BD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001561FDE6520, 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 0x000001561FDF5B30, 16 bytes long.
 Data: <(m&#223; V           > 28 6D DF 1F 56 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001561FDF6580, 16 bytes long.
 Data: < m&#223; V           > 00 6D DF 1F 56 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001561FDF0500, 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 0x000001561FDF6440, 16 bytes long.
 Data: <&#216;l&#223; V           > D8 6C DF 1F 56 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001561FDF63A0, 16 bytes long.
 Data: <&#176;l&#223; V           > B0 6C DF 1F 56 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001561FDF62B0, 16 bytes long.
 Data: < l&#223; V           > 88 6C DF 1F 56 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001561FDF6620, 16 bytes long.
 Data: <`l&#223; V           > 60 6C DF 1F 56 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001561FDF4F10, 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 0x000001561FDF6260, 16 bytes long.
 Data: <&#184;&#242;&#221; V           > B8 F2 DD 1F 56 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001561FDF0920, 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 0x000001561FDF61C0, 16 bytes long.
 Data: < &#242;&#221; V           > 90 F2 DD 1F 56 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001561FDF6170, 16 bytes long.
 Data: <h&#242;&#221; V           > 68 F2 DD 1F 56 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001561FDF5A90, 16 bytes long.
 Data: <@&#242;&#221; V           > 40 F2 DD 1F 56 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001561FDF64E0, 16 bytes long.
 Data: < &#242;&#221; V           > 18 F2 DD 1F 56 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001561FDF5EA0, 16 bytes long.
 Data: <&#240;&#241;&#221; V           > F0 F1 DD 1F 56 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001561FDF6120, 16 bytes long.
 Data: <&#200;&#241;&#221; V           > C8 F1 DD 1F 56 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001561FDEFEA0, 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 0x000001561FDF5F90, 16 bytes long.
 Data: <&#160;&#241;&#221; V           > A0 F1 DD 1F 56 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001561FDDF1A0, 320 bytes long.
 Data: < _&#223; V   &#160;&#254;&#222; V   > 90 5F DF 1F 56 01 00 00 A0 FE DE 1F 56 01 00 00 
{277} normal block at 0x000001561FDF6210, 16 bytes long.
 Data: <@l&#223; V           > 40 6C DF 1F 56 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001561FDF5A40, 16 bytes long.
 Data: < l&#223; V           > 18 6C DF 1F 56 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001561FDEFC60, 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 0x000001561FDF68A0, 16 bytes long.
 Data: <&#240;k&#223; V           > F0 6B DF 1F 56 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001561FDEFD20, 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 0x000001561FDF60D0, 16 bytes long.
 Data: <8k&#223; V           > 38 6B DF 1F 56 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001561FDF5EF0, 16 bytes long.
 Data: < k&#223; V           > 10 6B DF 1F 56 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001561FDF6940, 16 bytes long.
 Data: <&#232;j&#223; V           > E8 6A DF 1F 56 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001561FDF5E50, 16 bytes long.
 Data: <&#192;j&#223; V           > C0 6A DF 1F 56 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001561FDF6990, 16 bytes long.
 Data: < j&#223; V           > 98 6A DF 1F 56 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001561FDF63F0, 16 bytes long.
 Data: <pj&#223; V           > 70 6A DF 1F 56 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001561FDF6850, 16 bytes long.
 Data: <0N&#223; V           > 30 4E DF 1F 56 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001561FDF4E30, 40 bytes long.
 Data: <Ph&#223; V   &#176;d&#184;!V   > 50 68 DF 1F 56 01 00 00 B0 64 B8 21 56 01 00 00 
{263} normal block at 0x000001561FDF65D0, 16 bytes long.
 Data: <Pj&#223; V           > 50 6A DF 1F 56 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001561FDF6760, 16 bytes long.
 Data: <(j&#223; V           > 28 6A DF 1F 56 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001561FDF06E0, 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 0x000001561FDF6800, 16 bytes long.
 Data: < j&#223; V           > 00 6A DF 1F 56 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001561FDF6A00, 992 bytes long.
 Data: < h&#223; V   &#224; &#223; V   > 00 68 DF 1F 56 01 00 00 E0 06 DF 1F 56 01 00 00 
{95} normal block at 0x000001561FDF0320, 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 0x000001561FDEE0E0, 16 bytes long.
 Data: <&#176;Q&#223; V           > B0 51 DF 1F 56 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001561FDF51B0, 40 bytes long.
 Data: <&#224;&#224;&#222; V     &#223; V   > E0 E0 DE 1F 56 01 00 00 20 03 DF 1F 56 01 00 00 
{72} normal block at 0x000001561FDEE090, 16 bytes long.
 Data: < &#234;S&#210;&#247;           > 80 EA 53 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001561FDEDBE0, 16 bytes long.
 Data: <@&#233;S&#210;&#247;           > 40 E9 53 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001561FDED870, 16 bytes long.
 Data: <&#248;WP&#210;&#247;           > F8 57 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001561FDED550, 16 bytes long.
 Data: <&#216;WP&#210;&#247;           > D8 57 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001561FDEDF00, 16 bytes long.
 Data: <P P&#210;&#247;           > 50 04 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001561FDEE2C0, 16 bytes long.
 Data: <0 P&#210;&#247;           > 30 04 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001561FDED500, 16 bytes long.
 Data: <&#224; P&#210;&#247;           > E0 02 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001561FDED690, 16 bytes long.
 Data: <  P&#210;&#247;           > 10 04 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001561FDEE040, 16 bytes long.
 Data: <p P&#210;&#247;           > 70 04 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001561FDEDD70, 16 bytes long.
 Data: < &#192;N&#210;&#247;           > 18 C0 4E D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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