Task 38683114

Name test_23-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND6556_0
Workunit 31624693
Created 27 Oct 2026, 10:29:29 UTC
Sent 27 Oct 2026, 10:29:36 UTC
Report deadline 1 Nov 2026, 10:29:36 UTC
Received 27 Oct 2026, 10:52:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629717
Run time 21 min 59 sec
CPU time 18 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 28,388.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 755.86 MB
Peak swap size 13.05 GB
Peak disk usage 4.17 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
05:30:49 (70464): wrapper (7.9.26016): starting
05:30:49 (70464): 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
05:30:51 (70464): Library/usr/bin/tar.exe exited; CPU time 0.015625
05:30:51 (70464): 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\6\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\6\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
05:51:42 (70464): C:/Windows/system32/cmd.exe exited; CPU time 1121.125000
05:51:42 (70464): 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: 35337321 bytes.
Dumping objects ->
{3835311} normal block at 0x000002AF64013D30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835300} normal block at 0x000002AF64013550, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x000002AF64013C50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835278} normal block at 0x000002AF64013240, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000002AF640132B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835236} normal block at 0x000002AF63F6D300, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000002AF63FCED50, 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) : {3835222} normal block at 0x000002AF620FF220, 8 bytes long.
 Data: <  db&#175;   > 00 00 64 62 AF 02 00 00 
{3834575} normal block at 0x000002AF63FCF170, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000002AF620FF180, 8 bytes long.
 Data: < : d&#175;   > 20 3A 04 64 AF 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002AF620F6DA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002AF620F7400, 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 0x000002AF62106410, 16 bytes long.
 Data: <&#168;Z b&#175;           > A8 5A 10 62 AF 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002AF62105C90, 16 bytes long.
 Data: < Z b&#175;           > 80 5A 10 62 AF 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002AF621005B0, 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 0x000002AF62106640, 16 bytes long.
 Data: <XZ b&#175;           > 58 5A 10 62 AF 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002AF621063C0, 16 bytes long.
 Data: <0Z b&#175;           > 30 5A 10 62 AF 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002AF62106730, 16 bytes long.
 Data: < Z b&#175;           > 08 5A 10 62 AF 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002AF62106190, 16 bytes long.
 Data: <&#224;Y b&#175;           > E0 59 10 62 AF 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002AF62103E20, 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 0x000002AF62106690, 16 bytes long.
 Data: <&#232;&#251; b&#175;           > E8 FB 0E 62 AF 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002AF62100370, 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 0x000002AF62106370, 16 bytes long.
 Data: <&#192;&#251; b&#175;           > C0 FB 0E 62 AF 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002AF62106230, 16 bytes long.
 Data: < &#251; b&#175;           > 98 FB 0E 62 AF 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002AF62105FB0, 16 bytes long.
 Data: <p&#251; b&#175;           > 70 FB 0E 62 AF 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002AF621065A0, 16 bytes long.
 Data: <H&#251; b&#175;           > 48 FB 0E 62 AF 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002AF621065F0, 16 bytes long.
 Data: < &#251; b&#175;           > 20 FB 0E 62 AF 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002AF621061E0, 16 bytes long.
 Data: <&#248;&#250; b&#175;           > F8 FA 0E 62 AF 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002AF62100130, 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 0x000002AF62106550, 16 bytes long.
 Data: <&#208;&#250; b&#175;           > D0 FA 0E 62 AF 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002AF620EFAD0, 320 bytes long.
 Data: <Pe b&#175;   0  b&#175;   > 50 65 10 62 AF 02 00 00 30 01 10 62 AF 02 00 00 
{276} normal block at 0x000002AF62106140, 16 bytes long.
 Data: <&#192;Y b&#175;           > C0 59 10 62 AF 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002AF62106500, 16 bytes long.
 Data: < Y b&#175;           > 98 59 10 62 AF 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002AF62100CD0, 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 0x000002AF62106910, 16 bytes long.
 Data: <pY b&#175;           > 70 59 10 62 AF 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002AF62100310, 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 0x000002AF62106320, 16 bytes long.
 Data: <&#184;X b&#175;           > B8 58 10 62 AF 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002AF621067D0, 16 bytes long.
 Data: < X b&#175;           > 90 58 10 62 AF 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002AF62106AF0, 16 bytes long.
 Data: <hX b&#175;           > 68 58 10 62 AF 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002AF621060F0, 16 bytes long.
 Data: <@X b&#175;           > 40 58 10 62 AF 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002AF621060A0, 16 bytes long.
 Data: < X b&#175;           > 18 58 10 62 AF 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002AF620FE870, 16 bytes long.
 Data: <&#240;W b&#175;           > F0 57 10 62 AF 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002AF620FE780, 16 bytes long.
 Data: <`< b&#175;           > 60 3C 10 62 AF 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002AF62103C60, 40 bytes long.
 Data: < &#231; b&#175;    &#211;&#246;c&#175;   > 80 E7 0F 62 AF 02 00 00 00 D3 F6 63 AF 02 00 00 
{262} normal block at 0x000002AF620FEC30, 16 bytes long.
 Data: <&#208;W b&#175;           > D0 57 10 62 AF 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002AF620FE5F0, 16 bytes long.
 Data: <&#168;W b&#175;           > A8 57 10 62 AF 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002AF62100250, 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 0x000002AF620FF360, 16 bytes long.
 Data: < W b&#175;           > 80 57 10 62 AF 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002AF62105780, 992 bytes long.
 Data: <`&#243; b&#175;   P  b&#175;   > 60 F3 0F 62 AF 02 00 00 50 02 10 62 AF 02 00 00 
{94} normal block at 0x000002AF621003D0, 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 0x000002AF620FEE60, 16 bytes long.
 Data: < ? b&#175;           > 00 3F 10 62 AF 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002AF62103F00, 40 bytes long.
 Data: <`&#238; b&#175;   &#208;  b&#175;   > 60 EE 0F 62 AF 02 00 00 D0 03 10 62 AF 02 00 00 
{71} normal block at 0x000002AF620FE640, 16 bytes long.
 Data: < &#234;&#188;&#218;&#246;           > 80 EA BC DA F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002AF620FF040, 16 bytes long.
 Data: <@&#233;&#188;&#218;&#246;           > 40 E9 BC DA F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002AF620FE550, 16 bytes long.
 Data: <&#248;W&#185;&#218;&#246;           > F8 57 B9 DA F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002AF620FEE10, 16 bytes long.
 Data: <&#216;W&#185;&#218;&#246;           > D8 57 B9 DA F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002AF620FE7D0, 16 bytes long.
 Data: <P &#185;&#218;&#246;           > 50 04 B9 DA F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002AF620FEAF0, 16 bytes long.
 Data: <0 &#185;&#218;&#246;           > 30 04 B9 DA F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002AF620FEC80, 16 bytes long.
 Data: <&#224; &#185;&#218;&#246;           > E0 02 B9 DA F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002AF620FF1D0, 16 bytes long.
 Data: <  &#185;&#218;&#246;           > 10 04 B9 DA F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002AF620FF130, 16 bytes long.
 Data: <p &#185;&#218;&#246;           > 70 04 B9 DA F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002AF620FE6E0, 16 bytes long.
 Data: < &#192;&#183;&#218;&#246;           > 18 C0 B7 DA F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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