Task 38677384

Name test_311-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND8266_0
Workunit 31619258
Created 26 Oct 2026, 14:11:10 UTC
Sent 26 Oct 2026, 14:11:14 UTC
Report deadline 31 Oct 2026, 14:11:14 UTC
Received 26 Oct 2026, 14:34:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629717
Run time 22 min 14 sec
CPU time 20 min 19 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 757.70 MB
Peak swap size 13.05 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
09:12:43 (69240): wrapper (7.9.26016): starting
09:12:43 (69240): 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
09:12:46 (69240): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:12:46 (69240): 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\29\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\29\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
09:33:36 (69240): C:/Windows/system32/cmd.exe exited; CPU time 1219.734375
09:33:36 (69240): 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: 36721863 bytes.
Dumping objects ->
{3835311} normal block at 0x0000024E0CBDA710, 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 0x0000024E0CBDA860, 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 0x0000024E0CBDAB70, 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 0x0000024E0CBDAF60, 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 0x0000024E0CBDAD30, 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 0x0000024E0CB7D100, 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 0x0000024E0CBDEF60, 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 0x0000024E0AEAEE90, 8 bytes long.
 Data: <  &#230; N   > 00 00 E6 0A 4E 02 00 00 
{3834575} normal block at 0x0000024E0CBDE880, 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 0x0000024E0AEAF430, 8 bytes long.
 Data: <P&#235;&#248; N   > 50 EB F8 0A 4E 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000024E0AEA63D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000024E0AEA78B0, 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 0x0000024E0AEB63A0, 16 bytes long.
 Data: <&#216;Z&#235; N           > D8 5A EB 0A 4E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024E0AEB5C20, 16 bytes long.
 Data: <&#176;Z&#235; N           > B0 5A EB 0A 4E 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024E0AEAFF80, 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 0x0000024E0AEB62B0, 16 bytes long.
 Data: < Z&#235; N           > 88 5A EB 0A 4E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024E0AEB5F90, 16 bytes long.
 Data: <`Z&#235; N           > 60 5A EB 0A 4E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024E0AEB5F40, 16 bytes long.
 Data: <8Z&#235; N           > 38 5A EB 0A 4E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024E0AEB6B70, 16 bytes long.
 Data: < Z&#235; N           > 10 5A EB 0A 4E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024E0AEB3F30, 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 0x0000024E0AEB6120, 16 bytes long.
 Data: <&#216;&#163;&#234; N           > D8 A3 EA 0A 4E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024E0AEB07C0, 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 0x0000024E0AEB6940, 16 bytes long.
 Data: <&#176;&#163;&#234; N           > B0 A3 EA 0A 4E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024E0AEB6260, 16 bytes long.
 Data: < &#163;&#234; N           > 88 A3 EA 0A 4E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024E0AEB5EA0, 16 bytes long.
 Data: <`&#163;&#234; N           > 60 A3 EA 0A 4E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024E0AEB60D0, 16 bytes long.
 Data: <8&#163;&#234; N           > 38 A3 EA 0A 4E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024E0AEB6670, 16 bytes long.
 Data: < &#163;&#234; N           > 10 A3 EA 0A 4E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024E0AEB69E0, 16 bytes long.
 Data: <&#232;&#162;&#234; N           > E8 A2 EA 0A 4E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024E0AEB0C40, 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 0x0000024E0AEB6490, 16 bytes long.
 Data: <&#192;&#162;&#234; N           > C0 A2 EA 0A 4E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024E0AEAA2C0, 320 bytes long.
 Data: < d&#235; N   @ &#235; N   > 90 64 EB 0A 4E 02 00 00 40 0C EB 0A 4E 02 00 00 
{276} normal block at 0x0000024E0AEB6530, 16 bytes long.
 Data: <&#240;Y&#235; N           > F0 59 EB 0A 4E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024E0AEB5EF0, 16 bytes long.
 Data: <&#200;Y&#235; N           > C8 59 EB 0A 4E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024E0AEB0AC0, 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 0x0000024E0AEB61C0, 16 bytes long.
 Data: <&#160;Y&#235; N           > A0 59 EB 0A 4E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024E0AEB05E0, 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 0x0000024E0AEB5C70, 16 bytes long.
 Data: <&#232;X&#235; N           > E8 58 EB 0A 4E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024E0AEB5E50, 16 bytes long.
 Data: <&#192;X&#235; N           > C0 58 EB 0A 4E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024E0AEB5FE0, 16 bytes long.
 Data: < X&#235; N           > 98 58 EB 0A 4E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024E0AEB6B20, 16 bytes long.
 Data: <pX&#235; N           > 70 58 EB 0A 4E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024E0AEB6210, 16 bytes long.
 Data: <HX&#235; N           > 48 58 EB 0A 4E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024E0AEAEF80, 16 bytes long.
 Data: < X&#235; N           > 20 58 EB 0A 4E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024E0AEAEE40, 16 bytes long.
 Data: < <&#235; N           > 90 3C EB 0A 4E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024E0AEB3C90, 40 bytes long.
 Data: <@&#238;&#234; N    &#209;&#183; N   > 40 EE EA 0A 4E 02 00 00 00 D1 B7 0C 4E 02 00 00 
{262} normal block at 0x0000024E0AEAEBC0, 16 bytes long.
 Data: < X&#235; N           > 00 58 EB 0A 4E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024E0AEAEEE0, 16 bytes long.
 Data: <&#216;W&#235; N           > D8 57 EB 0A 4E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024E0AEB0880, 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 0x0000024E0AEAE670, 16 bytes long.
 Data: <&#176;W&#235; N           > B0 57 EB 0A 4E 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024E0AEB57B0, 992 bytes long.
 Data: <p&#230;&#234; N     &#235; N   > 70 E6 EA 0A 4E 02 00 00 80 08 EB 0A 4E 02 00 00 
{94} normal block at 0x0000024E0AEB0160, 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 0x0000024E0AEAF250, 16 bytes long.
 Data: < @&#235; N           > 10 40 EB 0A 4E 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000024E0AEB4010, 40 bytes long.
 Data: <P&#242;&#234; N   ` &#235; N   > 50 F2 EA 0A 4E 02 00 00 60 01 EB 0A 4E 02 00 00 
{71} normal block at 0x0000024E0AEAF1B0, 16 bytes long.
 Data: < &#234;/T&#246;           > 80 EA 2F 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024E0AEAED50, 16 bytes long.
 Data: <@&#233;/T&#246;           > 40 E9 2F 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024E0AEAE990, 16 bytes long.
 Data: <&#248;W,T&#246;           > F8 57 2C 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024E0AEAF200, 16 bytes long.
 Data: <&#216;W,T&#246;           > D8 57 2C 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024E0AEAE7B0, 16 bytes long.
 Data: <P ,T&#246;           > 50 04 2C 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024E0AEAE8F0, 16 bytes long.
 Data: <0 ,T&#246;           > 30 04 2C 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024E0AEAF0C0, 16 bytes long.
 Data: <&#224; ,T&#246;           > E0 02 2C 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024E0AEAF2F0, 16 bytes long.
 Data: <  ,T&#246;           > 10 04 2C 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024E0AEAF3E0, 16 bytes long.
 Data: <p ,T&#246;           > 70 04 2C 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024E0AEAF390, 16 bytes long.
 Data: < &#192;*T&#246;           > 18 C0 2A 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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