Task 38695242

Name test_315-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND1888_0
Workunit 31635952
Created 31 Oct 2026, 8:14:30 UTC
Sent 31 Oct 2026, 8:14:31 UTC
Report deadline 5 Nov 2026, 8:14:31 UTC
Received 31 Oct 2026, 8:44:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 190034
Run time 28 min 48 sec
CPU time 27 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 24,398.38 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 725.59 MB
Peak swap size 6.90 GB
Peak disk usage 3.49 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:16:14 (30008): wrapper (7.9.26016): starting
09:16:14 (30008): 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
09:16:15 (30008): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:16:15 (30008): 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 'E:\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 'E:\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
09:44:08 (30008): C:/Windows/system32/cmd.exe exited; CPU time 1653.296875
09:44:08 (30008): called boinc_finish(0)
0 bytes in 0 Free Blocks.
658 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: 29500285 bytes.
Dumping objects ->
{3835248} normal block at 0x0000027F042FCDD0, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x0000027F026247A0, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x0000027F026246C0, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835215} normal block at 0x0000027F02624B20, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x0000027F02624AB0, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835173} normal block at 0x0000027F0434A540, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835162} normal block at 0x0000027F0261D3B0, 201 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) : {3835159} normal block at 0x0000027F0261F830, 8 bytes long.
 Data: <  &#197;     > 00 00 C5 02 7F 02 00 00 
{3834554} normal block at 0x0000027F0261C5E0, 201 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 0x0000027F02620140, 8 bytes long.
 Data: <p2:     > 70 32 3A 04 7F 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000027F02616020, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000027F02617C00, 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 0x0000027F02625910, 16 bytes long.
 Data: <&#232;gb             > E8 67 62 02 7F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000027F02625D20, 16 bytes long.
 Data: <&#192;gb             > C0 67 62 02 7F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027F02621520, 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 0x0000027F02625FF0, 16 bytes long.
 Data: < gb             > 98 67 62 02 7F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027F02625780, 16 bytes long.
 Data: <pgb             > 70 67 62 02 7F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027F02625640, 16 bytes long.
 Data: <Hgb             > 48 67 62 02 7F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027F02625CD0, 16 bytes long.
 Data: < gb             > 20 67 62 02 7F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027F026248F0, 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 0x0000027F02625C30, 16 bytes long.
 Data: <&#216;&#241;`             > D8 F1 60 02 7F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027F026207A0, 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 0x0000027F02625EB0, 16 bytes long.
 Data: <&#176;&#241;`             > B0 F1 60 02 7F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027F02625960, 16 bytes long.
 Data: < &#241;`             > 88 F1 60 02 7F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027F026258C0, 16 bytes long.
 Data: <`&#241;`             > 60 F1 60 02 7F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027F02625870, 16 bytes long.
 Data: <8&#241;`             > 38 F1 60 02 7F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027F02625BE0, 16 bytes long.
 Data: < &#241;`             > 10 F1 60 02 7F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027F02625B90, 16 bytes long.
 Data: <&#232;&#240;`             > E8 F0 60 02 7F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027F02620E60, 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 0x0000027F02625E60, 16 bytes long.
 Data: <&#192;&#240;`             > C0 F0 60 02 7F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027F0260F0C0, 320 bytes long.
 Data: <`^b     ` b     > 60 5E 62 02 7F 02 00 00 60 0E 62 02 7F 02 00 00 
{275} normal block at 0x0000027F02625B40, 16 bytes long.
 Data: < gb             > 00 67 62 02 7F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027F02625F50, 16 bytes long.
 Data: <&#216;fb             > D8 66 62 02 7F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027F026211C0, 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 0x0000027F026255A0, 16 bytes long.
 Data: <&#176;fb             > B0 66 62 02 7F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027F02620A40, 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 0x0000027F02625AF0, 16 bytes long.
 Data: <&#248;eb             > F8 65 62 02 7F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027F02625E10, 16 bytes long.
 Data: <&#208;eb             > D0 65 62 02 7F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027F02626220, 16 bytes long.
 Data: <&#168;eb             > A8 65 62 02 7F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027F026255F0, 16 bytes long.
 Data: < eb             > 80 65 62 02 7F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027F02625AA0, 16 bytes long.
 Data: <Xeb             > 58 65 62 02 7F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027F026257D0, 16 bytes long.
 Data: <0eb             > 30 65 62 02 7F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027F02625500, 16 bytes long.
 Data: < Kb             > 90 4B 62 02 7F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027F02624B90, 40 bytes long.
 Data: < Ub     @&#165;4     > 00 55 62 02 7F 02 00 00 40 A5 34 04 7F 02 00 00 
{261} normal block at 0x0000027F026259B0, 16 bytes long.
 Data: < eb             > 10 65 62 02 7F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027F02625730, 16 bytes long.
 Data: <&#232;db             > E8 64 62 02 7F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027F02621160, 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 0x0000027F02626180, 16 bytes long.
 Data: <&#192;db             > C0 64 62 02 7F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000027F026264C0, 992 bytes long.
 Data: < ab     ` b     > 80 61 62 02 7F 02 00 00 60 11 62 02 7F 02 00 00 
{93} normal block at 0x0000027F02620BC0, 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 0x0000027F0261FA10, 16 bytes long.
 Data: <0&#224;`             > 30 E0 60 02 7F 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000027F0260E030, 40 bytes long.
 Data: < &#250;a     &#192; b     > 10 FA 61 02 7F 02 00 00 C0 0B 62 02 7F 02 00 00 
{70} normal block at 0x0000027F0261F7E0, 16 bytes long.
 Data: < &#234;&#173;&#251;&#246;           > 80 EA AD FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000027F0261F790, 16 bytes long.
 Data: <@&#233;&#173;&#251;&#246;           > 40 E9 AD FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027F026206E0, 16 bytes long.
 Data: <&#248;W&#170;&#251;&#246;           > F8 57 AA FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027F02620460, 16 bytes long.
 Data: <&#216;W&#170;&#251;&#246;           > D8 57 AA FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027F02620690, 16 bytes long.
 Data: <P &#170;&#251;&#246;           > 50 04 AA FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027F0261FDD0, 16 bytes long.
 Data: <0 &#170;&#251;&#246;           > 30 04 AA FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027F026205A0, 16 bytes long.
 Data: <&#224; &#170;&#251;&#246;           > E0 02 AA FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027F02620550, 16 bytes long.
 Data: <  &#170;&#251;&#246;           > 10 04 AA FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027F02620190, 16 bytes long.
 Data: <p &#170;&#251;&#246;           > 70 04 AA FB F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000027F02620050, 16 bytes long.
 Data: < &#192;&#168;&#251;&#246;           > 18 C0 A8 FB F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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