Task 38648131

Name test_483-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND7107_1
Workunit 31592320
Created 23 Oct 2026, 20:31:42 UTC
Sent 23 Oct 2026, 22:12:23 UTC
Report deadline 28 Oct 2026, 22:12:23 UTC
Received 23 Oct 2026, 23:08:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654846
Run time 40 min 48 sec
CPU time 34 min 7 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 628.67 MB
Peak swap size 3.06 GB
Peak disk usage 3.64 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:25:32 (3140): wrapper (7.9.26016): starting
01:25:33 (3140): 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
01:25:35 (3140): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:25:35 (3140): 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
02:04:33 (3140): C:/Windows/system32/cmd.exe exited; CPU time 2047.406250
02:04:33 (3140): 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: 25894533 bytes.
Dumping objects ->
{3835254} normal block at 0x000001FAE1260CE0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x000001FAE1260D50, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x000001FAE1260F80, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835221} normal block at 0x000001FADF6EB660, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x000001FADF6EB430, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835179} normal block at 0x000001FAE11BBA00, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835168} normal block at 0x000001FAE12A5A40, 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) : {3835164} normal block at 0x000001FADF6E6D50, 8 bytes long.
 Data: <  l&#223;&#250;   > 00 00 6C DF FA 01 00 00 
{3834552} normal block at 0x000001FAE12A57A0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x000001FADF6E6D00, 8 bytes long.
 Data: <pp*&#225;&#250;   > 70 70 2A E1 FA 01 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x000001FADF6F03C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FADF6D5D20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x000001FADF6F19F0, 16 bytes long.
 Data: < :o&#223;&#250;           > 08 3A 6F DF FA 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FADF6F1950, 16 bytes long.
 Data: <&#224;9o&#223;&#250;           > E0 39 6F DF FA 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FADF6ED3E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x000001FADF6F1D10, 16 bytes long.
 Data: <&#184;9o&#223;&#250;           > B8 39 6F DF FA 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FADF6F1810, 16 bytes long.
 Data: < 9o&#223;&#250;           > 90 39 6F DF FA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FADF6F18B0, 16 bytes long.
 Data: <h9o&#223;&#250;           > 68 39 6F DF FA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FADF6F1450, 16 bytes long.
 Data: <@9o&#223;&#250;           > 40 39 6F DF FA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FADF6EB820, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x000001FADF6F15E0, 16 bytes long.
 Data: <&#184;\m&#223;&#250;           > B8 5C 6D DF FA 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FADF6ED200, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x000001FADF6F1400, 16 bytes long.
 Data: < \m&#223;&#250;           > 90 5C 6D DF FA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FADF6F1CC0, 16 bytes long.
 Data: <h\m&#223;&#250;           > 68 5C 6D DF FA 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FADF6F2260, 16 bytes long.
 Data: <@\m&#223;&#250;           > 40 5C 6D DF FA 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FADF6F1C70, 16 bytes long.
 Data: < \m&#223;&#250;           > 18 5C 6D DF FA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FADF6F17C0, 16 bytes long.
 Data: <&#240;[m&#223;&#250;           > F0 5B 6D DF FA 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FADF6F1770, 16 bytes long.
 Data: <&#200;[m&#223;&#250;           > C8 5B 6D DF FA 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FADF6ECC60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{269} normal block at 0x000001FADF6F1860, 16 bytes long.
 Data: <&#160;[m&#223;&#250;           > A0 5B 6D DF FA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FADF6D5BA0, 320 bytes long.
 Data: <` o&#223;&#250;   `&#204;n&#223;&#250;   > 60 18 6F DF FA 01 00 00 60 CC 6E DF FA 01 00 00 
{267} normal block at 0x000001FADF6F2170, 16 bytes long.
 Data: < 9o&#223;&#250;           > 20 39 6F DF FA 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FADF6F1590, 16 bytes long.
 Data: <&#248;8o&#223;&#250;           > F8 38 6F DF FA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FADF6ECB40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x000001FADF6F1900, 16 bytes long.
 Data: <&#208;8o&#223;&#250;           > D0 38 6F DF FA 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FADF6ECA80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x000001FADF6F1540, 16 bytes long.
 Data: < 8o&#223;&#250;           > 18 38 6F DF FA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FADF6F1B30, 16 bytes long.
 Data: <&#240;7o&#223;&#250;           > F0 37 6F DF FA 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FADF6F1EF0, 16 bytes long.
 Data: <&#200;7o&#223;&#250;           > C8 37 6F DF FA 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FADF6F1F90, 16 bytes long.
 Data: <&#160;7o&#223;&#250;           > A0 37 6F DF FA 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001FADF6F1630, 16 bytes long.
 Data: <x7o&#223;&#250;           > 78 37 6F DF FA 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001FADF6F1A90, 16 bytes long.
 Data: <P7o&#223;&#250;           > 50 37 6F DF FA 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001FADF6F1AE0, 16 bytes long.
 Data: < &#181;n&#223;&#250;           > 80 B5 6E DF FA 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001FADF6EB580, 40 bytes long.
 Data: <&#224; o&#223;&#250;    &#186; &#225;&#250;   > E0 1A 6F DF FA 01 00 00 00 BA 1B E1 FA 01 00 00 
{253} normal block at 0x000001FADF6F1BD0, 16 bytes long.
 Data: <07o&#223;&#250;           > 30 37 6F DF FA 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001FADF6F1EA0, 16 bytes long.
 Data: < 7o&#223;&#250;           > 08 37 6F DF FA 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001FADF6ED5C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x000001FADF6F1680, 16 bytes long.
 Data: <&#224;6o&#223;&#250;           > E0 36 6F DF FA 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000001FADF6F36E0, 992 bytes long.
 Data: <  o&#223;&#250;   &#192;&#213;n&#223;&#250;   > 80 16 6F DF FA 01 00 00 C0 D5 6E DF FA 01 00 00 
{85} normal block at 0x000001FADF6ED860, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x000001FADF6E64E0, 16 bytes long.
 Data: < &#181;n&#223;&#250;           > 10 B5 6E DF FA 01 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001FADF6EB510, 40 bytes long.
 Data: <&#224;dn&#223;&#250;   `&#216;n&#223;&#250;   > E0 64 6E DF FA 01 00 00 60 D8 6E DF FA 01 00 00 
{62} normal block at 0x000001FADF6E6F30, 16 bytes long.
 Data: < &#234; &#237;&#247;           > 80 EA 01 ED F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FADF6E6800, 16 bytes long.
 Data: <@&#233; &#237;&#247;           > 40 E9 01 ED F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001FADF6E7070, 16 bytes long.
 Data: <&#248;W&#254;&#236;&#247;           > F8 57 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001FADF6E6530, 16 bytes long.
 Data: <&#216;W&#254;&#236;&#247;           > D8 57 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001FADF6E73E0, 16 bytes long.
 Data: <P &#254;&#236;&#247;           > 50 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001FADF6E71B0, 16 bytes long.
 Data: <0 &#254;&#236;&#247;           > 30 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001FADF6E65D0, 16 bytes long.
 Data: <&#224; &#254;&#236;&#247;           > E0 02 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001FADF6E6A30, 16 bytes long.
 Data: <  &#254;&#236;&#247;           > 10 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001FADF6E7110, 16 bytes long.
 Data: <p &#254;&#236;&#247;           > 70 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001FADF6E6620, 16 bytes long.
 Data: < &#192;&#252;&#236;&#247;           > 18 C0 FC EC F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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