Task 38683828

Name test_726-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND1953_0
Workunit 31625371
Created 27 Oct 2026, 13:31:16 UTC
Sent 27 Oct 2026, 13:31:23 UTC
Report deadline 1 Nov 2026, 13:31:23 UTC
Received 27 Oct 2026, 14:01:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 607849
Run time 26 min 43 sec
CPU time 23 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,485.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.25 MB
Peak swap size 6.94 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:35:02 (15384): wrapper (7.9.26016): starting
14:35:02 (15384): 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
14:35:03 (15384): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:35:03 (15384): 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\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 'C:\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
15:00:42 (15384): C:/Windows/system32/cmd.exe exited; CPU time 1437.406250
15:00:42 (15384): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 25763289 bytes.
Dumping objects ->
{3835266} normal block at 0x000001AE150AADD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x000001AE150AA430, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x000001AE133E61C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835233} normal block at 0x000001AE133E6150, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x000001AE133E6000, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835191} normal block at 0x000001AE150BC590, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835178} normal block at 0x000001AE133DE080, 8 bytes long.
 Data: <  8 &#174;   > 00 00 38 13 AE 01 00 00 
{3833965} normal block at 0x000001AE133DE7B0, 8 bytes long.
 Data: < &#234;K &#174;   > 20 EA 4B 13 AE 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001AE133DF950, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001AE133D77F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001AE133E7790, 16 bytes long.
 Data: <x{> &#174;           > 78 7B 3E 13 AE 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001AE133E7740, 16 bytes long.
 Data: <P{> &#174;           > 50 7B 3E 13 AE 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001AE133E1080, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001AE133E6A20, 16 bytes long.
 Data: <({> &#174;           > 28 7B 3E 13 AE 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001AE133E76F0, 16 bytes long.
 Data: < {> &#174;           > 00 7B 3E 13 AE 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001AE133E7060, 16 bytes long.
 Data: <&#216;z> &#174;           > D8 7A 3E 13 AE 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001AE133E6930, 16 bytes long.
 Data: <&#176;z> &#174;           > B0 7A 3E 13 AE 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001AE133E5F90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001AE133E7010, 16 bytes long.
 Data: <8&#253;< &#174;           > 38 FD 3C 13 AE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001AE133E1980, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001AE133E6E80, 16 bytes long.
 Data: < &#253;< &#174;           > 10 FD 3C 13 AE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001AE133E6D40, 16 bytes long.
 Data: <&#232;&#252;< &#174;           > E8 FC 3C 13 AE 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001AE133E7650, 16 bytes long.
 Data: <&#192;&#252;< &#174;           > C0 FC 3C 13 AE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001AE133E6890, 16 bytes long.
 Data: < &#252;< &#174;           > 98 FC 3C 13 AE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001AE133E6C50, 16 bytes long.
 Data: <p&#252;< &#174;           > 70 FC 3C 13 AE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001AE133E7150, 16 bytes long.
 Data: <H&#252;< &#174;           > 48 FC 3C 13 AE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001AE133E1500, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001AE133E7560, 16 bytes long.
 Data: < &#252;< &#174;           > 20 FC 3C 13 AE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001AE133CFC20, 320 bytes long.
 Data: <`u> &#174;     > &#174;   > 60 75 3E 13 AE 01 00 00 00 15 3E 13 AE 01 00 00 
{278} normal block at 0x000001AE133E6DE0, 16 bytes long.
 Data: < z> &#174;           > 90 7A 3E 13 AE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001AE133E72E0, 16 bytes long.
 Data: <hz> &#174;           > 68 7A 3E 13 AE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001AE133E12C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001AE133E6BB0, 16 bytes long.
 Data: <@z> &#174;           > 40 7A 3E 13 AE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001AE133E14A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001AE133E7600, 16 bytes long.
 Data: < y> &#174;           > 88 79 3E 13 AE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001AE133E6F70, 16 bytes long.
 Data: <`y> &#174;           > 60 79 3E 13 AE 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001AE133E6B60, 16 bytes long.
 Data: <8y> &#174;           > 38 79 3E 13 AE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001AE133E6E30, 16 bytes long.
 Data: < y> &#174;           > 10 79 3E 13 AE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001AE133E7100, 16 bytes long.
 Data: <&#232;x> &#174;           > E8 78 3E 13 AE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001AE133E76A0, 16 bytes long.
 Data: <&#192;x> &#174;           > C0 78 3E 13 AE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001AE133E7510, 16 bytes long.
 Data: <p`> &#174;           > 70 60 3E 13 AE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001AE133E6070, 40 bytes long.
 Data: < u> &#174;    &#197;  &#174;   > 10 75 3E 13 AE 01 00 00 90 C5 0B 15 AE 01 00 00 
{264} normal block at 0x000001AE133E75B0, 16 bytes long.
 Data: <&#160;x> &#174;           > A0 78 3E 13 AE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001AE133E73D0, 16 bytes long.
 Data: <xx> &#174;           > 78 78 3E 13 AE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001AE133E1B60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001AE133E6980, 16 bytes long.
 Data: <Px> &#174;           > 50 78 3E 13 AE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001AE133E7850, 992 bytes long.
 Data: < i> &#174;   ` > &#174;   > 80 69 3E 13 AE 01 00 00 60 1B 3E 13 AE 01 00 00 
{96} normal block at 0x000001AE133E1920, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001AE133DE3A0, 16 bytes long.
 Data: <P&#209;< &#174;           > 50 D1 3C 13 AE 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001AE133CD150, 40 bytes long.
 Data: <&#160;&#227;= &#174;     > &#174;   > A0 E3 3D 13 AE 01 00 00 20 19 3E 13 AE 01 00 00 
{73} normal block at 0x000001AE133DE850, 16 bytes long.
 Data: < &#234;&#172;&#222;&#247;           > 80 EA AC DE F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001AE133DE0D0, 16 bytes long.
 Data: <@&#233;&#172;&#222;&#247;           > 40 E9 AC DE F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001AE133DED00, 16 bytes long.
 Data: <&#248;W&#169;&#222;&#247;           > F8 57 A9 DE F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001AE133DE350, 16 bytes long.
 Data: <&#216;W&#169;&#222;&#247;           > D8 57 A9 DE F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001AE133DEE90, 16 bytes long.
 Data: <P &#169;&#222;&#247;           > 50 04 A9 DE F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001AE133DE300, 16 bytes long.
 Data: <0 &#169;&#222;&#247;           > 30 04 A9 DE F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001AE133DEBC0, 16 bytes long.
 Data: <&#224; &#169;&#222;&#247;           > E0 02 A9 DE F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001AE133DEB70, 16 bytes long.
 Data: <  &#169;&#222;&#247;           > 10 04 A9 DE F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001AE133DE530, 16 bytes long.
 Data: <p &#169;&#222;&#247;           > 70 04 A9 DE F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001AE133DE940, 16 bytes long.
 Data: < &#192;&#167;&#222;&#247;           > 18 C0 A7 DE F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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