Task 38671100

Name test_448-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND7507_2
Workunit 31613281
Created 25 Oct 2026, 19:31:47 UTC
Sent 25 Oct 2026, 19:31:59 UTC
Report deadline 30 Oct 2026, 19:31:59 UTC
Received 25 Oct 2026, 20:59:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654841
Run time 31 min 44 sec
CPU time 29 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.54 MB
Peak swap size 8.41 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:25:48 (4716): wrapper (7.9.26016): starting
22:25:48 (4716): 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
22:25:49 (4716): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:25:49 (4716): 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 'D:\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 'D:\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
22:56:48 (4716): C:/Windows/system32/cmd.exe exited; CPU time 1764.421875
22:56:48 (4716): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 25723483 bytes.
Dumping objects ->
{3835233} normal block at 0x00000210D03D1520, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x00000210D03D1590, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x00000210D03D0E90, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835200} normal block at 0x00000210D03D1750, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835189} normal block at 0x00000210D03D1130, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835158} normal block at 0x00000210D047CA50, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835147} normal block at 0x00000210D03F0F90, 160 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) : {3835144} normal block at 0x00000210CE8171E0, 8 bytes long.
 Data: <  $&#208;    > 00 00 24 D0 10 02 00 00 
{3834543} normal block at 0x00000210D03F0510, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833946} normal block at 0x00000210CE816CE0, 8 bytes long.
 Data: <&#240;&#196; &#206;    > F0 C4 80 CE 10 02 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x00000210CE820BF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000210CE805EB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x00000210CE821F00, 16 bytes long.
 Data: <h3&#130;&#206;            > 68 33 82 CE 10 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000210CE821FA0, 16 bytes long.
 Data: <@3&#130;&#206;            > 40 33 82 CE 10 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000210CE81D690, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x00000210CE8223B0, 16 bytes long.
 Data: < 3&#130;&#206;            > 18 33 82 CE 10 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000210CE822950, 16 bytes long.
 Data: <&#240;2&#130;&#206;            > F0 32 82 CE 10 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000210CE822B80, 16 bytes long.
 Data: <&#200;2&#130;&#206;            > C8 32 82 CE 10 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000210CE821FF0, 16 bytes long.
 Data: <&#160;2&#130;&#206;            > A0 32 82 CE 10 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000210CE81DF50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x00000210CE822B30, 16 bytes long.
 Data: <H^ &#206;            > 48 5E 80 CE 10 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000210CE81CE50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x00000210CE822590, 16 bytes long.
 Data: < ^ &#206;            > 20 5E 80 CE 10 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000210CE822900, 16 bytes long.
 Data: <&#248;] &#206;            > F8 5D 80 CE 10 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000210CE822860, 16 bytes long.
 Data: <&#208;] &#206;            > D0 5D 80 CE 10 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000210CE821E10, 16 bytes long.
 Data: <&#168;] &#206;            > A8 5D 80 CE 10 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000210CE8224F0, 16 bytes long.
 Data: < ] &#206;            > 80 5D 80 CE 10 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000210CE822180, 16 bytes long.
 Data: <X] &#206;            > 58 5D 80 CE 10 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000210CE81CA90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x00000210CE8226D0, 16 bytes long.
 Data: <0] &#206;            > 30 5D 80 CE 10 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000210CE805D30, 320 bytes long.
 Data: <&#208;&&#130;&#206;     &#202; &#206;    > D0 26 82 CE 10 02 00 00 90 CA 81 CE 10 02 00 00 
{266} normal block at 0x00000210CE822360, 16 bytes long.
 Data: < 2&#130;&#206;            > 80 32 82 CE 10 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000210CE822040, 16 bytes long.
 Data: <X2&#130;&#206;            > 58 32 82 CE 10 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000210CE81D7B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x00000210CE821D70, 16 bytes long.
 Data: <02&#130;&#206;            > 30 32 82 CE 10 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000210CE81D750, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x00000210CE822540, 16 bytes long.
 Data: <x1&#130;&#206;            > 78 31 82 CE 10 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000210CE822BD0, 16 bytes long.
 Data: <P1&#130;&#206;            > 50 31 82 CE 10 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000210CE821DC0, 16 bytes long.
 Data: <(1&#130;&#206;            > 28 31 82 CE 10 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000210CE8224A0, 16 bytes long.
 Data: < 1&#130;&#206;            > 00 31 82 CE 10 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000210CE821E60, 16 bytes long.
 Data: <&#216;0&#130;&#206;            > D8 30 82 CE 10 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000210CE822720, 16 bytes long.
 Data: <&#176;0&#130;&#206;            > B0 30 82 CE 10 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000210CE822A40, 16 bytes long.
 Data: < &#218; &#206;            > 80 DA 81 CE 10 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000210CE81DA80, 40 bytes long.
 Data: <@*&#130;&#206;    P&#202;G&#208;    > 40 2A 82 CE 10 02 00 00 50 CA 47 D0 10 02 00 00 
{252} normal block at 0x00000210CE822450, 16 bytes long.
 Data: < 0&#130;&#206;            > 90 30 82 CE 10 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000210CE8222C0, 16 bytes long.
 Data: <h0&#130;&#206;            > 68 30 82 CE 10 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000210CE81C9D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x00000210CE822310, 16 bytes long.
 Data: <@0&#130;&#206;            > 40 30 82 CE 10 02 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x00000210CE823040, 992 bytes long.
 Data: < #&#130;&#206;    &#208;&#201; &#206;    > 10 23 82 CE 10 02 00 00 D0 C9 81 CE 10 02 00 00 
{84} normal block at 0x00000210CE81C910, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x00000210CE8163D0, 16 bytes long.
 Data: <`&#219; &#206;            > 60 DB 81 CE 10 02 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x00000210CE81DB60, 40 bytes long.
 Data: <&#208;c &#206;     &#201; &#206;    > D0 63 81 CE 10 02 00 00 10 C9 81 CE 10 02 00 00 
{61} normal block at 0x00000210CE816F10, 16 bytes long.
 Data: < &#234;w&#167;&#246;           > 80 EA 77 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000210CE816650, 16 bytes long.
 Data: <@&#233;w&#167;&#246;           > 40 E9 77 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000210CE816D30, 16 bytes long.
 Data: <&#248;Wt&#167;&#246;           > F8 57 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000210CE816DD0, 16 bytes long.
 Data: <&#216;Wt&#167;&#246;           > D8 57 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000210CE816F60, 16 bytes long.
 Data: <P t&#167;&#246;           > 50 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000210CE816C90, 16 bytes long.
 Data: <0 t&#167;&#246;           > 30 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000210CE816380, 16 bytes long.
 Data: <&#224; t&#167;&#246;           > E0 02 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000210CE817050, 16 bytes long.
 Data: <  t&#167;&#246;           > 10 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x00000210CE816600, 16 bytes long.
 Data: <p t&#167;&#246;           > 70 04 74 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x00000210CE816330, 16 bytes long.
 Data: < &#192;r&#167;&#246;           > 18 C0 72 A7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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