Task 38685248

Name test_5-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND9486_0
Workunit 31626725
Created 27 Oct 2026, 20:10:04 UTC
Sent 27 Oct 2026, 20:10:06 UTC
Report deadline 1 Nov 2026, 20:10:06 UTC
Received 27 Oct 2026, 21:56:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652180
Run time 52 min 35 sec
CPU time 51 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,742.81 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 711.07 MB
Peak swap size 14.29 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
22:05:20 (20380): wrapper (7.9.26016): starting
22:05:20 (20380): 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
22:05:22 (20380): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:05:22 (20380): 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\66\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\66\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
22:55:51 (20380): C:/Windows/system32/cmd.exe exited; CPU time 3068.156250
22:55:51 (20380): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 54139023 bytes.
Dumping objects ->
{3835218} normal block at 0x000001B271268080, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x000001B2712677C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x000001B271267590, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835185} normal block at 0x000001B271267520, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835174} normal block at 0x000001B2712674B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835143} normal block at 0x000001B27117ABF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835132} normal block at 0x000001B2711DD1C0, 102 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) : {3835129} normal block at 0x000001B26F3B79D0, 8 bytes long.
 Data: <  4o&#178;   > 00 00 34 6F B2 01 00 00 
{3834528} normal block at 0x000001B2711DD110, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x000001B26F3B7A70, 8 bytes long.
 Data: <p&#132;&q&#178;   > 70 84 26 71 B2 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001B26F3C0CE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B26F3ACA00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000001B26F3C2860, 16 bytes long.
 Data: < /<o&#178;           > 88 2F 3C 6F B2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B26F3C2630, 16 bytes long.
 Data: <`/<o&#178;           > 60 2F 3C 6F B2 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B26F3BD870, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000001B26F3C24A0, 16 bytes long.
 Data: <8/<o&#178;           > 38 2F 3C 6F B2 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B26F3C2360, 16 bytes long.
 Data: < /<o&#178;           > 10 2F 3C 6F B2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B26F3C1D20, 16 bytes long.
 Data: <&#232;.<o&#178;           > E8 2E 3C 6F B2 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B26F3C2310, 16 bytes long.
 Data: <&#192;.<o&#178;           > C0 2E 3C 6F B2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B26F3BBFB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000001B26F3C2450, 16 bytes long.
 Data: <&#232;[:o&#178;           > E8 5B 3A 6F B2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B26F3BD390, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000001B26F3C2A40, 16 bytes long.
 Data: <&#192;[:o&#178;           > C0 5B 3A 6F B2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B26F3C22C0, 16 bytes long.
 Data: < [:o&#178;           > 98 5B 3A 6F B2 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B26F3C1C30, 16 bytes long.
 Data: <p[:o&#178;           > 70 5B 3A 6F B2 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B26F3C1BE0, 16 bytes long.
 Data: <H[:o&#178;           > 48 5B 3A 6F B2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B26F3C2130, 16 bytes long.
 Data: < [:o&#178;           > 20 5B 3A 6F B2 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B26F3C2770, 16 bytes long.
 Data: <&#248;Z:o&#178;           > F8 5A 3A 6F B2 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B26F3BCFD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x000001B26F3C20E0, 16 bytes long.
 Data: <&#208;Z:o&#178;           > D0 5A 3A 6F B2 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B26F3A5AD0, 320 bytes long.
 Data: <&#224; <o&#178;   &#208;&#207;;o&#178;   > E0 20 3C 6F B2 01 00 00 D0 CF 3B 6F B2 01 00 00 
{269} normal block at 0x000001B26F3C2040, 16 bytes long.
 Data: <&#160;.<o&#178;           > A0 2E 3C 6F B2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B26F3C1FF0, 16 bytes long.
 Data: <x.<o&#178;           > 78 2E 3C 6F B2 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B26F3BD810, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000001B26F3C2810, 16 bytes long.
 Data: <P.<o&#178;           > 50 2E 3C 6F B2 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B26F3BD150, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000001B26F3C2900, 16 bytes long.
 Data: < -<o&#178;           > 98 2D 3C 6F B2 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B26F3C25E0, 16 bytes long.
 Data: <p-<o&#178;           > 70 2D 3C 6F B2 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B26F3C1AF0, 16 bytes long.
 Data: <H-<o&#178;           > 48 2D 3C 6F B2 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B26F3C2270, 16 bytes long.
 Data: < -<o&#178;           > 20 2D 3C 6F B2 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B26F3C2220, 16 bytes long.
 Data: <&#248;,<o&#178;           > F8 2C 3C 6F B2 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B26F3C29A0, 16 bytes long.
 Data: <&#208;,<o&#178;           > D0 2C 3C 6F B2 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001B26F3C1FA0, 16 bytes long.
 Data: <&#192;&#187;;o&#178;           > C0 BB 3B 6F B2 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001B26F3BBBC0, 40 bytes long.
 Data: <&#160; <o&#178;   &#240;&#171; q&#178;   > A0 1F 3C 6F B2 01 00 00 F0 AB 17 71 B2 01 00 00 
{255} normal block at 0x000001B26F3C2590, 16 bytes long.
 Data: <&#176;,<o&#178;           > B0 2C 3C 6F B2 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001B26F3C1CD0, 16 bytes long.
 Data: < ,<o&#178;           > 88 2C 3C 6F B2 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001B26F3BD570, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000001B26F3C1F00, 16 bytes long.
 Data: <`,<o&#178;           > 60 2C 3C 6F B2 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001B26F3C2C60, 992 bytes long.
 Data: <  <o&#178;   p&#213;;o&#178;   > 00 1F 3C 6F B2 01 00 00 70 D5 3B 6F B2 01 00 00 
{87} normal block at 0x000001B26F3BCF70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000001B26F3B75C0, 16 bytes long.
 Data: < &#192;;o&#178;           > 20 C0 3B 6F B2 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001B26F3BC020, 40 bytes long.
 Data: <&#192;u;o&#178;   p&#207;;o&#178;   > C0 75 3B 6F B2 01 00 00 70 CF 3B 6F B2 01 00 00 
{64} normal block at 0x000001B26F3B7B10, 16 bytes long.
 Data: < &#234;&#224;&#209;&#247;           > 80 EA E0 D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B26F3B7340, 16 bytes long.
 Data: <@&#233;&#224;&#209;&#247;           > 40 E9 E0 D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B26F3B7BB0, 16 bytes long.
 Data: <&#248;W&#221;&#209;&#247;           > F8 57 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B26F3B7020, 16 bytes long.
 Data: <&#216;W&#221;&#209;&#247;           > D8 57 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B26F3B72F0, 16 bytes long.
 Data: <P &#221;&#209;&#247;           > 50 04 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001B26F3B6EE0, 16 bytes long.
 Data: <0 &#221;&#209;&#247;           > 30 04 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001B26F3B7750, 16 bytes long.
 Data: <&#224; &#221;&#209;&#247;           > E0 02 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001B26F3B6DA0, 16 bytes long.
 Data: <  &#221;&#209;&#247;           > 10 04 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001B26F3B7160, 16 bytes long.
 Data: <p &#221;&#209;&#247;           > 70 04 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001B26F3B74D0, 16 bytes long.
 Data: < &#192;&#219;&#209;&#247;           > 18 C0 DB D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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