Task 38689345

Name test_721-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND5509_0
Workunit 31630610
Created 28 Oct 2026, 20:20:02 UTC
Sent 28 Oct 2026, 20:20:05 UTC
Report deadline 2 Nov 2026, 20:20:05 UTC
Received 28 Oct 2026, 20:44:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647500
Run time 21 min 58 sec
CPU time 15 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 759.29 MB
Peak swap size 11.53 GB
Peak disk usage 3.78 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:25:05 (17288): wrapper (7.9.26016): starting
16:25:05 (17288): 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
16:25:07 (17288): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:25:07 (17288): 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\13\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\13\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
16:42:11 (17288): C:/Windows/system32/cmd.exe exited; CPU time 952.250000
16:42:11 (17288): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 20280053 bytes.
Dumping objects ->
{3835525} normal block at 0x00000213542C3110, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x00000213542C30A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835503} normal block at 0x00000213542C2F50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835492} normal block at 0x00000213542C3260, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x00000213542C2EE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835450} normal block at 0x0000021356138220, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835439} normal block at 0x00000213543286E0, 140 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) : {3835436} normal block at 0x00000213542BE900, 8 bytes long.
 Data: <  ~T    > 00 00 7E 54 13 02 00 00 
{3834686} normal block at 0x0000021354328BC0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x00000213542BE4A0, 8 bytes long.
 Data: < &#234; V    > 00 EA 04 56 13 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000213542B6C90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000213542B7960, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000213542C4180, 16 bytes long.
 Data: < L,T            > 88 4C 2C 54 13 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000213542C3640, 16 bytes long.
 Data: <`L,T            > 60 4C 2C 54 13 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000213542BF8F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000213542C3E60, 16 bytes long.
 Data: <8L,T            > 38 4C 2C 54 13 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000213542C4310, 16 bytes long.
 Data: < L,T            > 10 4C 2C 54 13 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000213542C3A00, 16 bytes long.
 Data: <&#232;K,T            > E8 4B 2C 54 13 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000213542C3690, 16 bytes long.
 Data: <&#192;K,T            > C0 4B 2C 54 13 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000213542C2FC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000213542C38C0, 16 bytes long.
 Data: <(&#166;+T            > 28 A6 2B 54 13 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000213542BF890, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000213542C44A0, 16 bytes long.
 Data: < &#166;+T            > 00 A6 2B 54 13 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000213542C39B0, 16 bytes long.
 Data: <&#216;&#165;+T            > D8 A5 2B 54 13 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000213542C3780, 16 bytes long.
 Data: <&#176;&#165;+T            > B0 A5 2B 54 13 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000213542C3CD0, 16 bytes long.
 Data: < &#165;+T            > 88 A5 2B 54 13 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000213542C3B40, 16 bytes long.
 Data: <`&#165;+T            > 60 A5 2B 54 13 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000213542C42C0, 16 bytes long.
 Data: <8&#165;+T            > 38 A5 2B 54 13 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000213542BF170, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000213542C3F00, 16 bytes long.
 Data: < &#165;+T            > 10 A5 2B 54 13 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000213542BA510, 320 bytes long.
 Data: < ?,T    p&#241;+T    > 00 3F 2C 54 13 02 00 00 70 F1 2B 54 13 02 00 00 
{274} normal block at 0x00000213542C3C80, 16 bytes long.
 Data: <&#160;K,T            > A0 4B 2C 54 13 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000213542C4130, 16 bytes long.
 Data: <xK,T            > 78 4B 2C 54 13 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000213542BEF30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000213542C3FA0, 16 bytes long.
 Data: <PK,T            > 50 4B 2C 54 13 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000213542BEF90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000213542C4220, 16 bytes long.
 Data: < J,T            > 98 4A 2C 54 13 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000213542C3A50, 16 bytes long.
 Data: <pJ,T            > 70 4A 2C 54 13 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000213542C3AF0, 16 bytes long.
 Data: <HJ,T            > 48 4A 2C 54 13 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000213542C37D0, 16 bytes long.
 Data: < J,T            > 20 4A 2C 54 13 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000213542C3F50, 16 bytes long.
 Data: <&#248;I,T            > F8 49 2C 54 13 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000213542C3E10, 16 bytes long.
 Data: <&#208;I,T            > D0 49 2C 54 13 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000213542C4090, 16 bytes long.
 Data: <&#176;3,T            > B0 33 2C 54 13 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000213542C33B0, 40 bytes long.
 Data: < @,T     &#130; V    > 90 40 2C 54 13 02 00 00 20 82 13 56 13 02 00 00 
{260} normal block at 0x00000213542C3B90, 16 bytes long.
 Data: <&#176;I,T            > B0 49 2C 54 13 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000213542C4360, 16 bytes long.
 Data: < I,T            > 88 49 2C 54 13 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000213542BFAD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x00000213542C3960, 16 bytes long.
 Data: <`I,T            > 60 49 2C 54 13 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000213542C4960, 992 bytes long.
 Data: <`9,T    &#208;&#250;+T    > 60 39 2C 54 13 02 00 00 D0 FA 2B 54 13 02 00 00 
{92} normal block at 0x00000213542BF2F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000213542BDEB0, 16 bytes long.
 Data: < &#253;*T            > 80 FD 2A 54 13 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000213542AFD80, 40 bytes long.
 Data: <&#176;&#222;+T    &#240;&#242;+T    > B0 DE 2B 54 13 02 00 00 F0 F2 2B 54 13 02 00 00 
{69} normal block at 0x00000213542BE720, 16 bytes long.
 Data: < &#234;&#195;&#150;&#246;           > 80 EA C3 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000213542BEBD0, 16 bytes long.
 Data: <@&#233;&#195;&#150;&#246;           > 40 E9 C3 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000213542BE220, 16 bytes long.
 Data: <&#248;W&#192;&#150;&#246;           > F8 57 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000213542BDF50, 16 bytes long.
 Data: <&#216;W&#192;&#150;&#246;           > D8 57 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000213542BE360, 16 bytes long.
 Data: <P &#192;&#150;&#246;           > 50 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000213542BE180, 16 bytes long.
 Data: <0 &#192;&#150;&#246;           > 30 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000213542BE6D0, 16 bytes long.
 Data: <&#224; &#192;&#150;&#246;           > E0 02 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000213542BED60, 16 bytes long.
 Data: <  &#192;&#150;&#246;           > 10 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000213542BE1D0, 16 bytes long.
 Data: <p &#192;&#150;&#246;           > 70 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000213542BE270, 16 bytes long.
 Data: < &#192;&#190;&#150;&#246;           > 18 C0 BE 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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