Task 38670472

Name test_489-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND8856_0
Workunit 31612721
Created 25 Oct 2026, 17:38:34 UTC
Sent 25 Oct 2026, 17:38:39 UTC
Report deadline 30 Oct 2026, 17:38:39 UTC
Received 25 Oct 2026, 22:36:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 637963
Run time 54 min 17 sec
CPU time 51 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 743.22 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:42:36 (30104): wrapper (7.9.26016): starting
17:42:36 (30104): 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
17:42:37 (30104): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:42:37 (30104): 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\14\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\14\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
18:36:22 (30104): C:/Windows/system32/cmd.exe exited; CPU time 3109.156250
18:36:22 (30104): 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: 52472617 bytes.
Dumping objects ->
{3835451} normal block at 0x000001C3F942CEE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835440} normal block at 0x000001C3F7825480, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835429} normal block at 0x000001C3F7825020, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835418} normal block at 0x000001C3F7825410, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835407} normal block at 0x000001C3F7824FB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835376} normal block at 0x000001C3F94781C0, 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) : {3835363} normal block at 0x000001C3F781DB70, 8 bytes long.
 Data: <  &#191;&#247;&#195;   > 00 00 BF F7 C3 01 00 00 
{3833971} normal block at 0x000001C3F781E250, 8 bytes long.
 Data: <@&#151;&#132;&#247;&#195;   > 40 97 84 F7 C3 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001C3F7821630, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001C3F7816DD0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000001C3F7825E10, 16 bytes long.
 Data: <&#232;l&#130;&#247;&#195;           > E8 6C 82 F7 C3 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001C3F78261D0, 16 bytes long.
 Data: <&#192;l&#130;&#247;&#195;           > C0 6C 82 F7 C3 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001C3F781FA80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000001C3F7826220, 16 bytes long.
 Data: < l&#130;&#247;&#195;           > 98 6C 82 F7 C3 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001C3F7825E60, 16 bytes long.
 Data: <pl&#130;&#247;&#195;           > 70 6C 82 F7 C3 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C3F78268B0, 16 bytes long.
 Data: <Hl&#130;&#247;&#195;           > 48 6C 82 F7 C3 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001C3F7825F00, 16 bytes long.
 Data: < l&#130;&#247;&#195;           > 20 6C 82 F7 C3 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C3F78251E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000001C3F7826900, 16 bytes long.
 Data: <&#216;&#246; &#247;&#195;           > D8 F6 80 F7 C3 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C3F781F6C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000001C3F78266D0, 16 bytes long.
 Data: <&#176;&#246; &#247;&#195;           > B0 F6 80 F7 C3 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C3F7826810, 16 bytes long.
 Data: < &#246; &#247;&#195;           > 88 F6 80 F7 C3 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C3F78264A0, 16 bytes long.
 Data: <`&#246; &#247;&#195;           > 60 F6 80 F7 C3 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C3F7825B40, 16 bytes long.
 Data: <8&#246; &#247;&#195;           > 38 F6 80 F7 C3 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C3F7825AA0, 16 bytes long.
 Data: < &#246; &#247;&#195;           > 10 F6 80 F7 C3 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C3F7825CD0, 16 bytes long.
 Data: <&#232;&#245; &#247;&#195;           > E8 F5 80 F7 C3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C3F781FA20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000001C3F7825DC0, 16 bytes long.
 Data: <&#192;&#245; &#247;&#195;           > C0 F5 80 F7 C3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C3F780F5C0, 320 bytes long.
 Data: <&#192;]&#130;&#247;&#195;    &#250; &#247;&#195;   > C0 5D 82 F7 C3 01 00 00 20 FA 81 F7 C3 01 00 00 
{281} normal block at 0x000001C3F7825FF0, 16 bytes long.
 Data: < l&#130;&#247;&#195;           > 00 6C 82 F7 C3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C3F7826680, 16 bytes long.
 Data: <&#216;k&#130;&#247;&#195;           > D8 6B 82 F7 C3 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C3F781FDE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000001C3F7826630, 16 bytes long.
 Data: <&#176;k&#130;&#247;&#195;           > B0 6B 82 F7 C3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C3F781F420, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000001C3F78265E0, 16 bytes long.
 Data: <&#248;j&#130;&#247;&#195;           > F8 6A 82 F7 C3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C3F7826360, 16 bytes long.
 Data: <&#208;j&#130;&#247;&#195;           > D0 6A 82 F7 C3 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C3F78263B0, 16 bytes long.
 Data: <&#168;j&#130;&#247;&#195;           > A8 6A 82 F7 C3 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C3F7825FA0, 16 bytes long.
 Data: < j&#130;&#247;&#195;           > 80 6A 82 F7 C3 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C3F7825F50, 16 bytes long.
 Data: <Xj&#130;&#247;&#195;           > 58 6A 82 F7 C3 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C3F7825D70, 16 bytes long.
 Data: <0j&#130;&#247;&#195;           > 30 6A 82 F7 C3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C3F7826590, 16 bytes long.
 Data: <&#192;R&#130;&#247;&#195;           > C0 52 82 F7 C3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C3F78252C0, 40 bytes long.
 Data: < e&#130;&#247;&#195;   &#192; G&#249;&#195;   > 90 65 82 F7 C3 01 00 00 C0 81 47 F9 C3 01 00 00 
{267} normal block at 0x000001C3F7826540, 16 bytes long.
 Data: < j&#130;&#247;&#195;           > 10 6A 82 F7 C3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C3F7825A50, 16 bytes long.
 Data: <&#232;i&#130;&#247;&#195;           > E8 69 82 F7 C3 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C3F781FE40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000001C3F7826310, 16 bytes long.
 Data: <&#192;i&#130;&#247;&#195;           > C0 69 82 F7 C3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C3F78269C0, 992 bytes long.
 Data: < c&#130;&#247;&#195;   @&#254; &#247;&#195;   > 10 63 82 F7 C3 01 00 00 40 FE 81 F7 C3 01 00 00 
{99} normal block at 0x000001C3F781F600, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000001C3F781D940, 16 bytes long.
 Data: < &#232; &#247;&#195;           > 10 E8 80 F7 C3 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001C3F780E810, 40 bytes long.
 Data: <@&#217; &#247;&#195;    &#246; &#247;&#195;   > 40 D9 81 F7 C3 01 00 00 00 F6 81 F7 C3 01 00 00 
{76} normal block at 0x000001C3F781E3E0, 16 bytes long.
 Data: < &#234;&#238;&#150;&#246;           > 80 EA EE 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001C3F781E430, 16 bytes long.
 Data: <@&#233;&#238;&#150;&#246;           > 40 E9 EE 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001C3F781D800, 16 bytes long.
 Data: <&#248;W&#235;&#150;&#246;           > F8 57 EB 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001C3F781E340, 16 bytes long.
 Data: <&#216;W&#235;&#150;&#246;           > D8 57 EB 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001C3F781D760, 16 bytes long.
 Data: <P &#235;&#150;&#246;           > 50 04 EB 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001C3F781DA30, 16 bytes long.
 Data: <0 &#235;&#150;&#246;           > 30 04 EB 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001C3F781DB20, 16 bytes long.
 Data: <&#224; &#235;&#150;&#246;           > E0 02 EB 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C3F781E4D0, 16 bytes long.
 Data: <  &#235;&#150;&#246;           > 10 04 EB 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C3F781D850, 16 bytes long.
 Data: <p &#235;&#150;&#246;           > 70 04 EB 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C3F781E390, 16 bytes long.
 Data: < &#192;&#233;&#150;&#246;           > 18 C0 E9 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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