Task 38664388

Name test_433-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND2747_0
Workunit 31607542
Created 24 Oct 2026, 23:33:27 UTC
Sent 24 Oct 2026, 23:34:21 UTC
Report deadline 29 Oct 2026, 23:34:21 UTC
Received 25 Oct 2026, 1:03:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631132
Run time 27 min 15 sec
CPU time 24 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,068.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 716.49 MB
Peak swap size 6.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
09:02:49 (18892): wrapper (7.9.26016): starting
09:02:49 (18892): 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
09:02:50 (18892): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:02:50 (18892): 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\16\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\16\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
09:29:10 (18892): C:/Windows/system32/cmd.exe exited; CPU time 1494.703125
09:29:10 (18892): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 27887269 bytes.
Dumping objects ->
{3835523} normal block at 0x000002DD893FCCE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835512} normal block at 0x000002DD893FCDC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835501} normal block at 0x000002DD893FC730, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835490} normal block at 0x000002DD893FCA40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835479} normal block at 0x000002DD873F4A10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835448} normal block at 0x000002DD89448400, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835437} normal block at 0x000002DD894A2C30, 180 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) : {3835434} normal block at 0x000002DD873EF540, 8 bytes long.
 Data: <    &#221;   > 00 00 88 87 DD 02 00 00 
{3834732} normal block at 0x000002DD894A33B0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834057} normal block at 0x000002DD873EF130, 8 bytes long.
 Data: <&#176;AJ &#221;   > B0 41 4A 89 DD 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002DD873F1290, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002DD873E6720, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000002DD873F5AD0, 16 bytes long.
 Data: <hh? &#221;           > 68 68 3F 87 DD 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002DD873F5710, 16 bytes long.
 Data: <@h? &#221;           > 40 68 3F 87 DD 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002DD873EFC20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000002DD873F5DF0, 16 bytes long.
 Data: < h? &#221;           > 18 68 3F 87 DD 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002DD873F5A30, 16 bytes long.
 Data: < g? &#221;           > F0 67 3F 87 DD 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002DD873F5A80, 16 bytes long.
 Data: <&#200;g? &#221;           > C8 67 3F 87 DD 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002DD873F59E0, 16 bytes long.
 Data: < g? &#221;           > A0 67 3F 87 DD 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002DD873F4D20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000002DD873F55D0, 16 bytes long.
 Data: <x&#181;= &#221;           > 78 B5 3D 87 DD 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002DD873F0520, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000002DD873F6160, 16 bytes long.
 Data: <P&#181;= &#221;           > 50 B5 3D 87 DD 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002DD873F63E0, 16 bytes long.
 Data: <(&#181;= &#221;           > 28 B5 3D 87 DD 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002DD873F5DA0, 16 bytes long.
 Data: < &#181;= &#221;           > 00 B5 3D 87 DD 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002DD873F5D50, 16 bytes long.
 Data: <&#216;&#180;= &#221;           > D8 B4 3D 87 DD 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002DD873F6110, 16 bytes long.
 Data: <&#176;&#180;= &#221;           > B0 B4 3D 87 DD 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002DD873F6390, 16 bytes long.
 Data: < &#180;= &#221;           > 88 B4 3D 87 DD 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002DD873EF740, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000002DD873F6070, 16 bytes long.
 Data: <`&#180;= &#221;           > 60 B4 3D 87 DD 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002DD873DB460, 320 bytes long.
 Data: <p`? &#221;   @ > &#221;   > 70 60 3F 87 DD 02 00 00 40 F7 3E 87 DD 02 00 00 
{276} normal block at 0x000002DD873F5620, 16 bytes long.
 Data: < g? &#221;           > 80 67 3F 87 DD 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002DD873F5F80, 16 bytes long.
 Data: <Xg? &#221;           > 58 67 3F 87 DD 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002DD873EF800, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000002DD873F56C0, 16 bytes long.
 Data: <0g? &#221;           > 30 67 3F 87 DD 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002DD873F04C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000002DD873F58F0, 16 bytes long.
 Data: <xf? &#221;           > 78 66 3F 87 DD 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002DD873F5760, 16 bytes long.
 Data: <Pf? &#221;           > 50 66 3F 87 DD 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002DD873F5B20, 16 bytes long.
 Data: <(f? &#221;           > 28 66 3F 87 DD 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002DD873F64D0, 16 bytes long.
 Data: < f? &#221;           > 00 66 3F 87 DD 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002DD873F5FD0, 16 bytes long.
 Data: <&#216;e? &#221;           > D8 65 3F 87 DD 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002DD873F5F30, 16 bytes long.
 Data: <&#176;e? &#221;           > B0 65 3F 87 DD 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002DD873F5670, 16 bytes long.
 Data: <0I? &#221;           > 30 49 3F 87 DD 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002DD873F4930, 40 bytes long.
 Data: <pV? &#221;     D &#221;   > 70 56 3F 87 DD 02 00 00 00 84 44 89 DD 02 00 00 
{262} normal block at 0x000002DD873F5850, 16 bytes long.
 Data: < e? &#221;           > 90 65 3F 87 DD 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002DD873F5800, 16 bytes long.
 Data: <he? &#221;           > 68 65 3F 87 DD 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002DD873EFE00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000002DD873F5E40, 16 bytes long.
 Data: <@e? &#221;           > 40 65 3F 87 DD 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002DD873F6540, 992 bytes long.
 Data: <@^? &#221;     > &#221;   > 40 5E 3F 87 DD 02 00 00 00 FE 3E 87 DD 02 00 00 
{94} normal block at 0x000002DD873F02E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000002DD873EEF00, 16 bytes long.
 Data: < J? &#221;           > F0 4A 3F 87 DD 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002DD873F4AF0, 40 bytes long.
 Data: <  > &#221;     ? &#221;   > 00 EF 3E 87 DD 02 00 00 E0 02 3F 87 DD 02 00 00 
{69} normal block at 0x000002DD873EF040, 16 bytes long.
 Data: <   &#166;            > 80 EA F1 A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002DD873EF4F0, 16 bytes long.
 Data: <@  &#166;            > 40 E9 F1 A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002DD873EEB40, 16 bytes long.
 Data: < W &#166;            > F8 57 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002DD873EF630, 16 bytes long.
 Data: <&#216;W &#166;            > D8 57 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002DD873EF180, 16 bytes long.
 Data: <P  &#166;            > 50 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002DD873EEEB0, 16 bytes long.
 Data: <0  &#166;            > 30 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002DD873EF450, 16 bytes long.
 Data: <   &#166;            > E0 02 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002DD873EF090, 16 bytes long.
 Data: <   &#166;            > 10 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002DD873EF220, 16 bytes long.
 Data: <p  &#166;            > 70 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002DD873EE820, 16 bytes long.
 Data: < &#192; &#166;            > 18 C0 EC A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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