Task 38687791

Name test_916-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND2336_0
Workunit 31629169
Created 28 Oct 2026, 9:47:25 UTC
Sent 28 Oct 2026, 9:47:30 UTC
Report deadline 2 Nov 2026, 9:47:30 UTC
Received 28 Oct 2026, 11:06:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648117
Run time 23 min 13 sec
CPU time 21 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,121.39 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 705.15 MB
Peak swap size 6.95 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:43:26 (21704): wrapper (7.9.26016): starting
11:43:26 (21704): 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
11:43:27 (21704): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:43:27 (21704): 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:\BOINC\data\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:\BOINC\data\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
12:05:27 (21704): C:/Windows/system32/cmd.exe exited; CPU time 1284.109375
12:05:27 (21704): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 31429699 bytes.
Dumping objects ->
{3835311} normal block at 0x000001B27D1CEFA0, 48 bytes long.
 Data: <PATH=E:\BOINC\da> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835300} normal block at 0x000001B27D268A90, 32 bytes long.
 Data: <HOME=E:\BOINC\da> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835289} normal block at 0x000001B27D268A30, 32 bytes long.
 Data: <TMP=E:\BOINC\dat> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 74 
{3835278} normal block at 0x000001B27D268910, 32 bytes long.
 Data: <TEMP=E:\BOINC\da> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835267} normal block at 0x000001B27D268850, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835236} normal block at 0x000001B27D1CE7C0, 48 bytes long.
 Data: <PATH=E:\BOINC\da> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835225} normal block at 0x000001B27D2305A0, 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) : {3835222} normal block at 0x000001B27B4FFA90, 8 bytes long.
 Data: <   {    > 00 00 99 7B B2 01 00 00 
{3834590} normal block at 0x000001B27D230440, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833977} normal block at 0x000001B27B4FFA40, 8 bytes long.
 Data: <&#224;H'}    > E0 48 27 7D B2 01 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x000001B27B4F80B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001B27B4EF620, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{304} normal block at 0x000001B27B507080, 16 bytes long.
 Data: <8 P{            > 38 81 50 7B B2 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001B27B506EA0, 16 bytes long.
 Data: <  P{            > 10 81 50 7B B2 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001B27B502320, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{301} normal block at 0x000001B27B507440, 16 bytes long.
 Data: <&#232; P{            > E8 80 50 7B B2 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001B27B506EF0, 16 bytes long.
 Data: <&#192; P{            > C0 80 50 7B B2 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001B27B506E50, 16 bytes long.
 Data: <  P{            > 98 80 50 7B B2 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001B27B5071C0, 16 bytes long.
 Data: <p P{            > 70 80 50 7B B2 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001B27B505440, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{296} normal block at 0x000001B27B5073F0, 16 bytes long.
 Data: <x O{            > 78 15 4F 7B B2 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B27B501F60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{294} normal block at 0x000001B27B507990, 16 bytes long.
 Data: <P O{            > 50 15 4F 7B B2 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B27B507710, 16 bytes long.
 Data: <( O{            > 28 15 4F 7B B2 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B27B507800, 16 bytes long.
 Data: <  O{            > 00 15 4F 7B B2 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B27B5072B0, 16 bytes long.
 Data: <&#216; O{            > D8 14 4F 7B B2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B27B5077B0, 16 bytes long.
 Data: <&#176; O{            > B0 14 4F 7B B2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B27B507BC0, 16 bytes long.
 Data: <  O{            > 88 14 4F 7B B2 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B27B5019C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{286} normal block at 0x000001B27B507DA0, 16 bytes long.
 Data: <` O{            > 60 14 4F 7B B2 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B27B4F1460, 320 bytes long.
 Data: <&#160;}P{    &#192; P{    > A0 7D 50 7B B2 01 00 00 C0 19 50 7B B2 01 00 00 
{284} normal block at 0x000001B27B507490, 16 bytes long.
 Data: <P P{            > 50 80 50 7B B2 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B27B507B20, 16 bytes long.
 Data: <( P{            > 28 80 50 7B B2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B27B501D80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{281} normal block at 0x000001B27B507030, 16 bytes long.
 Data: <  P{            > 00 80 50 7B B2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B27B5022C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{279} normal block at 0x000001B27B507300, 16 bytes long.
 Data: <H P{            > 48 7F 50 7B B2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B27B507B70, 16 bytes long.
 Data: <  P{            > 20 7F 50 7B B2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B27B507D50, 16 bytes long.
 Data: <&#248;~P{            > F8 7E 50 7B B2 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B27B5073A0, 16 bytes long.
 Data: <&#208;~P{            > D0 7E 50 7B B2 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B27B507D00, 16 bytes long.
 Data: <&#168;~P{            > A8 7E 50 7B B2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B27B507AD0, 16 bytes long.
 Data: < ~P{            > 80 7E 50 7B B2 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B27B507350, 16 bytes long.
 Data: <&#224;VP{            > E0 56 50 7B B2 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B27B5056E0, 40 bytes long.
 Data: <PsP{    &#192;&#231; }    > 50 73 50 7B B2 01 00 00 C0 E7 1C 7D B2 01 00 00 
{270} normal block at 0x000001B27B507210, 16 bytes long.
 Data: <`~P{            > 60 7E 50 7B B2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B27B506F90, 16 bytes long.
 Data: <8~P{            > 38 7E 50 7B B2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B27B502020, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{267} normal block at 0x000001B27B507260, 16 bytes long.
 Data: < ~P{            > 10 7E 50 7B B2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B27B507E10, 992 bytes long.
 Data: <`rP{      P{    > 60 72 50 7B B2 01 00 00 20 20 50 7B B2 01 00 00 
{102} normal block at 0x000001B27B501780, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{101} normal block at 0x000001B27B4FF590, 16 bytes long.
 Data: < UP{            > 20 55 50 7B B2 01 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x000001B27B505520, 40 bytes long.
 Data: < &#245;O{      P{    > 90 F5 4F 7B B2 01 00 00 80 17 50 7B B2 01 00 00 
{79} normal block at 0x000001B27B4FF810, 16 bytes long.
 Data: < &#234;}d&#247;           > 80 EA 7D 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001B27B5004E0, 16 bytes long.
 Data: <@&#233;}d&#247;           > 40 E9 7D 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001B27B4FF7C0, 16 bytes long.
 Data: <&#248;Wzd&#247;           > F8 57 7A 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001B27B4FF900, 16 bytes long.
 Data: <&#216;Wzd&#247;           > D8 57 7A 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001B27B4FF9F0, 16 bytes long.
 Data: <P zd&#247;           > 50 04 7A 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001B27B4FFE00, 16 bytes long.
 Data: <0 zd&#247;           > 30 04 7A 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001B27B4FFB80, 16 bytes long.
 Data: <&#224; zd&#247;           > E0 02 7A 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001B27B500260, 16 bytes long.
 Data: <  zd&#247;           > 10 04 7A 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001B27B4FF860, 16 bytes long.
 Data: <p zd&#247;           > 70 04 7A 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B27B4FFFE0, 16 bytes long.
 Data: < &#192;xd&#247;           > 18 C0 78 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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