Task 38678858

Name test_387-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND2858_0
Workunit 31620663
Created 26 Oct 2026, 18:42:57 UTC
Sent 26 Oct 2026, 18:43:01 UTC
Report deadline 31 Oct 2026, 18:43:01 UTC
Received 27 Oct 2026, 4:26:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638078
Run time 20 min 9 sec
CPU time 16 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 51,075.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 810.40 MB
Peak swap size 10.08 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
05:06:28 (22768): wrapper (7.9.26016): starting
05:06:28 (22768): 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
05:06:29 (22768): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:06:29 (22768): 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\24\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\24\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
05:25:54 (22768): C:/Windows/system32/cmd.exe exited; CPU time 1000.515625
05:25:54 (22768): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 26605356 bytes.
Dumping objects ->
{3835471} normal block at 0x0000023ECE26DB50, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x0000023ECE26D680, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835449} normal block at 0x0000023ECC504BF0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835438} normal block at 0x0000023ECC504870, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x0000023ECC504B80, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835396} normal block at 0x0000023ECE2B9D30, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835385} normal block at 0x0000023ECE2CD7D0, 85 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) : {3835382} normal block at 0x0000023ECC4FD720, 8 bytes long.
 Data: <  &#154;&#204;>   > 00 00 9A CC 3E 02 00 00 
{3834663} normal block at 0x0000023ECE2CC650, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x0000023ECC4FDDB0, 8 bytes long.
 Data: < &#173;R&#204;>   > 90 AD 52 CC 3E 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000023ECC501830, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000023ECC4F5810, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000023ECC505EE0, 16 bytes long.
 Data: <HjP&#204;>           > 48 6A 50 CC 3E 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000023ECC506160, 16 bytes long.
 Data: < jP&#204;>           > 20 6A 50 CC 3E 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000023ECC4FFA80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000023ECC506110, 16 bytes long.
 Data: <&#248;iP&#204;>           > F8 69 50 CC 3E 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000023ECC505990, 16 bytes long.
 Data: <&#208;iP&#204;>           > D0 69 50 CC 3E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023ECC505850, 16 bytes long.
 Data: <&#168;iP&#204;>           > A8 69 50 CC 3E 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023ECC506520, 16 bytes long.
 Data: < iP&#204;>           > 80 69 50 CC 3E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023ECC504D40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000023ECC505E90, 16 bytes long.
 Data: < &#184;N&#204;>           > 08 B8 4E CC 3E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023ECC4FF720, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000023ECC506390, 16 bytes long.
 Data: <&#224;&#183;N&#204;>           > E0 B7 4E CC 3E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023ECC505940, 16 bytes long.
 Data: <&#184;&#183;N&#204;>           > B8 B7 4E CC 3E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023ECC5060C0, 16 bytes long.
 Data: < &#183;N&#204;>           > 90 B7 4E CC 3E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023ECC5062F0, 16 bytes long.
 Data: <h&#183;N&#204;>           > 68 B7 4E CC 3E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023ECC505760, 16 bytes long.
 Data: <@&#183;N&#204;>           > 40 B7 4E CC 3E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023ECC506020, 16 bytes long.
 Data: < &#183;N&#204;>           > 18 B7 4E CC 3E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023ECC4FFAE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000023ECC505A30, 16 bytes long.
 Data: <&#240;&#182;N&#204;>           > F0 B6 4E CC 3E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023ECC4EB6F0, 320 bytes long.
 Data: <0ZP&#204;>   &#224;&#250;O&#204;>   > 30 5A 50 CC 3E 02 00 00 E0 FA 4F CC 3E 02 00 00 
{280} normal block at 0x0000023ECC5066B0, 16 bytes long.
 Data: <`iP&#204;>           > 60 69 50 CC 3E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023ECC505FD0, 16 bytes long.
 Data: <8iP&#204;>           > 38 69 50 CC 3E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023ECC4FFBA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000023ECC505E40, 16 bytes long.
 Data: < iP&#204;>           > 10 69 50 CC 3E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023ECC4FF360, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000023ECC505B20, 16 bytes long.
 Data: <XhP&#204;>           > 58 68 50 CC 3E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023ECC505800, 16 bytes long.
 Data: <0hP&#204;>           > 30 68 50 CC 3E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023ECC505C10, 16 bytes long.
 Data: < hP&#204;>           > 08 68 50 CC 3E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023ECC505AD0, 16 bytes long.
 Data: <&#224;gP&#204;>           > E0 67 50 CC 3E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023ECC5065C0, 16 bytes long.
 Data: <&#184;gP&#204;>           > B8 67 50 CC 3E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023ECC5058F0, 16 bytes long.
 Data: < gP&#204;>           > 90 67 50 CC 3E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023ECC505DF0, 16 bytes long.
 Data: <&#208;LP&#204;>           > D0 4C 50 CC 3E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023ECC504CD0, 40 bytes long.
 Data: <&#240;]P&#204;>   0 +&#206;>   > F0 5D 50 CC 3E 02 00 00 30 9D 2B CE 3E 02 00 00 
{266} normal block at 0x0000023ECC506660, 16 bytes long.
 Data: <pgP&#204;>           > 70 67 50 CC 3E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023ECC506340, 16 bytes long.
 Data: <HgP&#204;>           > 48 67 50 CC 3E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023ECC4FF300, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000023ECC505F80, 16 bytes long.
 Data: < gP&#204;>           > 20 67 50 CC 3E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023ECC506720, 992 bytes long.
 Data: < _P&#204;>    &#243;O&#204;>   > 80 5F 50 CC 3E 02 00 00 00 F3 4F CC 3E 02 00 00 
{98} normal block at 0x0000023ECC4FF000, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000023ECC4FDD60, 16 bytes long.
 Data: <&#176;&#235;O&#204;>           > B0 EB 4F CC 3E 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000023ECC4FEBB0, 40 bytes long.
 Data: <`&#221;O&#204;>    &#240;O&#204;>   > 60 DD 4F CC 3E 02 00 00 00 F0 4F CC 3E 02 00 00 
{75} normal block at 0x0000023ECC4FDE00, 16 bytes long.
 Data: < &#234; &#139;&#246;           > 80 EA 1B 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000023ECC4FD860, 16 bytes long.
 Data: <@&#233; &#139;&#246;           > 40 E9 1B 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000023ECC4FD9A0, 16 bytes long.
 Data: <&#248;W &#139;&#246;           > F8 57 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000023ECC4FD680, 16 bytes long.
 Data: <&#216;W &#139;&#246;           > D8 57 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000023ECC4FD3B0, 16 bytes long.
 Data: <P  &#139;&#246;           > 50 04 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000023ECC4FD810, 16 bytes long.
 Data: <0  &#139;&#246;           > 30 04 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023ECC4FD540, 16 bytes long.
 Data: <&#224;  &#139;&#246;           > E0 02 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023ECC4FDD10, 16 bytes long.
 Data: <   &#139;&#246;           > 10 04 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023ECC4FD770, 16 bytes long.
 Data: <p  &#139;&#246;           > 70 04 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023ECC4FDFE0, 16 bytes long.
 Data: < &#192; &#139;&#246;           > 18 C0 16 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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