Task 38682775

Name test_130-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND8060_0
Workunit 31624370
Created 27 Oct 2026, 9:03:42 UTC
Sent 27 Oct 2026, 9:03:48 UTC
Report deadline 1 Nov 2026, 9:03:48 UTC
Received 27 Oct 2026, 9:45:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 514949
Run time 39 min 43 sec
CPU time 37 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,343.40 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 660.05 MB
Peak swap size 5.29 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
04:06:03 (9532): wrapper (7.9.26016): starting
04:06:03 (9532): 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
04:06:08 (9532): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:06:08 (9532): 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\3\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\3\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
04:44:41 (9532): C:/Windows/system32/cmd.exe exited; CPU time 2239.375000
04:44:41 (9532): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 37223051 bytes.
Dumping objects ->
{3835319} normal block at 0x0000020AD15CAFA0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835308} normal block at 0x0000020AD15CA7C0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835297} normal block at 0x0000020AD15CA600, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835286} normal block at 0x0000020ACFA2D4D0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x0000020ACFA2D3F0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835244} normal block at 0x0000020AD156DAE0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000020AD1612880, 135 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) : {3835230} normal block at 0x0000020ACFA28EB0, 8 bytes long.
 Data: <  I&#209;    > 00 00 49 D1 0A 02 00 00 
{3834589} normal block at 0x0000020AD1612A20, 135 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x0000020ACFA28A00, 8 bytes long.
 Data: <0&#149;\&#209;    > 30 95 5C D1 0A 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000020ACFA31CF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020ACFA160E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000020ACFA33500, 16 bytes long.
 Data: <&#200;U&#163;&#207;            > C8 55 A3 CF 0A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020ACFA33AA0, 16 bytes long.
 Data: <&#160;U&#163;&#207;            > A0 55 A3 CF 0A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020ACFA2EF90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000020ACFA32D30, 16 bytes long.
 Data: <xU&#163;&#207;            > 78 55 A3 CF 0A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020ACFA334B0, 16 bytes long.
 Data: <PU&#163;&#207;            > 50 55 A3 CF 0A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020ACFA33460, 16 bytes long.
 Data: <(U&#163;&#207;            > 28 55 A3 CF 0A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020ACFA32C40, 16 bytes long.
 Data: < U&#163;&#207;            > 00 55 A3 CF 0A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020ACFA2D9A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000020ACFA33550, 16 bytes long.
 Data: <x`&#161;&#207;            > 78 60 A1 CF 0A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020ACFA2F890, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000020ACFA33410, 16 bytes long.
 Data: <P`&#161;&#207;            > 50 60 A1 CF 0A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020ACFA33870, 16 bytes long.
 Data: <(`&#161;&#207;            > 28 60 A1 CF 0A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020ACFA33820, 16 bytes long.
 Data: < `&#161;&#207;            > 00 60 A1 CF 0A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020ACFA32D80, 16 bytes long.
 Data: <&#216;_&#161;&#207;            > D8 5F A1 CF 0A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020ACFA33A50, 16 bytes long.
 Data: <&#176;_&#161;&#207;            > B0 5F A1 CF 0A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020ACFA333C0, 16 bytes long.
 Data: < _&#161;&#207;            > 88 5F A1 CF 0A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020ACFA2F530, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000020ACFA32C90, 16 bytes long.
 Data: <`_&#161;&#207;            > 60 5F A1 CF 0A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020ACFA15F60, 320 bytes long.
 Data: < ,&#163;&#207;    0&#245;&#162;&#207;    > 90 2C A3 CF 0A 02 00 00 30 F5 A2 CF 0A 02 00 00 
{270} normal block at 0x0000020ACFA33A00, 16 bytes long.
 Data: <&#224;T&#163;&#207;            > E0 54 A3 CF 0A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020ACFA332D0, 16 bytes long.
 Data: <&#184;T&#163;&#207;            > B8 54 A3 CF 0A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020ACFA2F3B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000020ACFA33280, 16 bytes long.
 Data: < T&#163;&#207;            > 90 54 A3 CF 0A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020ACFA2F7D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000020ACFA33230, 16 bytes long.
 Data: <&#216;S&#163;&#207;            > D8 53 A3 CF 0A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020ACFA330F0, 16 bytes long.
 Data: <&#176;S&#163;&#207;            > B0 53 A3 CF 0A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020ACFA33000, 16 bytes long.
 Data: < S&#163;&#207;            > 88 53 A3 CF 0A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020ACFA33370, 16 bytes long.
 Data: <`S&#163;&#207;            > 60 53 A3 CF 0A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020ACFA33140, 16 bytes long.
 Data: <8S&#163;&#207;            > 38 53 A3 CF 0A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020ACFA33B40, 16 bytes long.
 Data: < S&#163;&#207;            > 10 53 A3 CF 0A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020ACFA33780, 16 bytes long.
 Data: <0&#217;&#162;&#207;            > 30 D9 A2 CF 0A 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020ACFA2D930, 40 bytes long.
 Data: < 7&#163;&#207;    &#224;&#218;V&#209;    > 80 37 A3 CF 0A 02 00 00 E0 DA 56 D1 0A 02 00 00 
{256} normal block at 0x0000020ACFA330A0, 16 bytes long.
 Data: <&#240;R&#163;&#207;            > F0 52 A3 CF 0A 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020ACFA33320, 16 bytes long.
 Data: <&#200;R&#163;&#207;            > C8 52 A3 CF 0A 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000020ACFA2F770, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000020ACFA339B0, 16 bytes long.
 Data: <&#160;R&#163;&#207;            > A0 52 A3 CF 0A 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000020ACFA352A0, 992 bytes long.
 Data: <&#176;9&#163;&#207;    p&#247;&#162;&#207;    > B0 39 A3 CF 0A 02 00 00 70 F7 A2 CF 0A 02 00 00 
{88} normal block at 0x0000020ACFA2F6B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000020ACFA28D20, 16 bytes long.
 Data: <`&#212;&#162;&#207;            > 60 D4 A2 CF 0A 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000020ACFA2D460, 40 bytes long.
 Data: <  &#162;&#207;    &#176;&#246;&#162;&#207;    > 20 8D A2 CF 0A 02 00 00 B0 F6 A2 CF 0A 02 00 00 
{65} normal block at 0x0000020ACFA28780, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 1C 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020ACFA28910, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 1C 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020ACFA28960, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020ACFA284B0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020ACFA28690, 16 bytes long.
 Data: <P   &#247;           > 50 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020ACFA285A0, 16 bytes long.
 Data: <0   &#247;           > 30 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020ACFA285F0, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020ACFA29130, 16 bytes long.
 Data: <    &#247;           > 10 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020ACFA28C80, 16 bytes long.
 Data: <p   &#247;           > 70 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000020ACFA288C0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 17 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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