Task 38685103

Name test_295-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND6850_0
Workunit 31626588
Created 27 Oct 2026, 19:22:57 UTC
Sent 27 Oct 2026, 19:23:08 UTC
Report deadline 1 Nov 2026, 19:23:08 UTC
Received 27 Oct 2026, 20:19:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648831
Run time 28 min 4 sec
CPU time 25 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.26 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:44:11 (8632): wrapper (7.9.26016): starting
04:44:11 (8632): 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
04:44:13 (8632): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:44:13 (8632): 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\28\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\28\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
05:10:35 (8632): C:/Windows/system32/cmd.exe exited; CPU time 1512.343750
05:10:35 (8632): 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: 28063293 bytes.
Dumping objects ->
{3835368} normal block at 0x000001E8C5B6D8E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835357} normal block at 0x000001E8C5B6D870, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835346} normal block at 0x000001E8C5B6DCD0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835335} normal block at 0x000001E8C5B6E2F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835324} normal block at 0x000001E8C5B6E0C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835293} normal block at 0x000001E8C7C69F50, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835282} normal block at 0x000001E8C7C81FB0, 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) : {3835279} normal block at 0x000001E8C5B3DF90, 8 bytes long.
 Data: <   &#197;    > 00 00 E8 C5 E8 01 00 00 
{3834663} normal block at 0x000001E8C7C827F0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834061} normal block at 0x000001E8C5B3DF40, 8 bytes long.
 Data: <` &#193;&#197;    > 60 E0 C1 C5 E8 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001E8C5B39030, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001E8C5B31AF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001E8C5B4A4D0, 16 bytes long.
 Data: <(&#179;&#180;&#197;            > 28 B3 B4 C5 E8 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E8C5B4A020, 16 bytes long.
 Data: < &#179;&#180;&#197;            > 00 B3 B4 C5 E8 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E8C5B46630, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001E8C5B4ACA0, 16 bytes long.
 Data: <&#216;&#178;&#180;&#197;            > D8 B2 B4 C5 E8 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E8C5B4AAC0, 16 bytes long.
 Data: <&#176;&#178;&#180;&#197;            > B0 B2 B4 C5 E8 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E8C5B4A930, 16 bytes long.
 Data: < &#178;&#180;&#197;            > 88 B2 B4 C5 E8 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E8C5B49FD0, 16 bytes long.
 Data: <`&#178;&#180;&#197;            > 60 B2 B4 C5 E8 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E8C5B447E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001E8C5B4AB10, 16 bytes long.
 Data: <( &#180;&#197;            > 28 9D B4 C5 E8 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E8C5B46450, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001E8C5B4A250, 16 bytes long.
 Data: <  &#180;&#197;            > 00 9D B4 C5 E8 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E8C5B4AA70, 16 bytes long.
 Data: <&#216; &#180;&#197;            > D8 9C B4 C5 E8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E8C5B4A570, 16 bytes long.
 Data: <&#176; &#180;&#197;            > B0 9C B4 C5 E8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E8C5B4AC00, 16 bytes long.
 Data: <  &#180;&#197;            > 88 9C B4 C5 E8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E8C5B4A160, 16 bytes long.
 Data: <` &#180;&#197;            > 60 9C B4 C5 E8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E8C5B49F80, 16 bytes long.
 Data: <8 &#180;&#197;            > 38 9C B4 C5 E8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E8C5B46090, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001E8C5B49F30, 16 bytes long.
 Data: <  &#180;&#197;            > 10 9C B4 C5 E8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E8C5B49C10, 320 bytes long.
 Data: <0 &#180;&#197;     `&#180;&#197;    > 30 9F B4 C5 E8 01 00 00 90 60 B4 C5 E8 01 00 00 
{277} normal block at 0x000001E8C5B4ABB0, 16 bytes long.
 Data: <@&#178;&#180;&#197;            > 40 B2 B4 C5 E8 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E8C5B4A0C0, 16 bytes long.
 Data: < &#178;&#180;&#197;            > 18 B2 B4 C5 E8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E8C5B46390, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001E8C5B4A3E0, 16 bytes long.
 Data: < &#177;&#180;&#197;            > F0 B1 B4 C5 E8 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E8C5B45970, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001E8C5B49E90, 16 bytes long.
 Data: <8&#177;&#180;&#197;            > 38 B1 B4 C5 E8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E8C5B4A110, 16 bytes long.
 Data: < &#177;&#180;&#197;            > 10 B1 B4 C5 E8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E8C5B4AB60, 16 bytes long.
 Data: < &#176;&#180;&#197;            > E8 B0 B4 C5 E8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E8C5B4A430, 16 bytes long.
 Data: <&#192;&#176;&#180;&#197;            > C0 B0 B4 C5 E8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E8C5B4A840, 16 bytes long.
 Data: < &#176;&#180;&#197;            > 98 B0 B4 C5 E8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E8C5B49EE0, 16 bytes long.
 Data: <p&#176;&#180;&#197;            > 70 B0 B4 C5 E8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E8C5B4A1B0, 16 bytes long.
 Data: < F&#180;&#197;            > 90 46 B4 C5 E8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E8C5B44690, 40 bytes long.
 Data: <&#176;&#161;&#180;&#197;    P &#198;&#199;    > B0 A1 B4 C5 E8 01 00 00 50 9F C6 C7 E8 01 00 00 
{263} normal block at 0x000001E8C5B4A520, 16 bytes long.
 Data: <P&#176;&#180;&#197;            > 50 B0 B4 C5 E8 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E8C5B4A070, 16 bytes long.
 Data: <(&#176;&#180;&#197;            > 28 B0 B4 C5 E8 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E8C5B45CD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001E8C5B4A610, 16 bytes long.
 Data: < &#176;&#180;&#197;            > 00 B0 B4 C5 E8 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E8C5B4B000, 992 bytes long.
 Data: < &#166;&#180;&#197;    &#208;\&#180;&#197;    > 10 A6 B4 C5 E8 01 00 00 D0 5C B4 C5 E8 01 00 00 
{95} normal block at 0x000001E8C5B45910, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001E8C5B3DEF0, 16 bytes long.
 Data: <@E&#180;&#197;            > 40 45 B4 C5 E8 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001E8C5B44540, 40 bytes long.
 Data: < &#222;&#179;&#197;     Y&#180;&#197;    > F0 DE B3 C5 E8 01 00 00 10 59 B4 C5 E8 01 00 00 
{70} normal block at 0x000001E8C5B3DEA0, 16 bytes long.
 Data: <   ;            > 80 EA 03 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E8C5B3DE50, 16 bytes long.
 Data: <@  ;            > 40 E9 03 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E8C5B3E850, 16 bytes long.
 Data: < W ;            > F8 57 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E8C5B3E4E0, 16 bytes long.
 Data: <&#216;W ;            > D8 57 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E8C5B3DE00, 16 bytes long.
 Data: <P  ;            > 50 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E8C5B3DDB0, 16 bytes long.
 Data: <0  ;            > 30 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E8C5B3DCC0, 16 bytes long.
 Data: <   ;            > E0 02 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E8C5B3DD60, 16 bytes long.
 Data: <   ;            > 10 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E8C5B3E620, 16 bytes long.
 Data: <p  ;            > 70 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E8C5B3EC10, 16 bytes long.
 Data: < &#192; :            > 18 C0 FE 3A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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