Task 38700006

Name test_913-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND4979_0
Workunit 31640345
Created 6 Nov 2026, 13:12:58 UTC
Sent 6 Nov 2026, 13:13:08 UTC
Report deadline 11 Nov 2026, 13:13:08 UTC
Received 6 Nov 2026, 16:06:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652185
Run time 1 hours 27 min 7 sec
CPU time 1 hours 25 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,749.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.08 MB
Peak swap size 6.96 GB
Peak disk usage 3.84 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:39:59 (17272): wrapper (7.9.26016): starting
15:39:59 (17272): 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
15:40:00 (17272): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:40:00 (17272): 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\1\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\1\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
17:06:32 (17272): C:/Windows/system32/cmd.exe exited; CPU time 5149.937500
17:06:32 (17272): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 79074991 bytes.
Dumping objects ->
{3835231} normal block at 0x00000123659CADF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x00000123659CAF40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x00000123659CAED0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835198} normal block at 0x00000123659CAA00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x00000123659CA680, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835156} normal block at 0x0000012367788A60, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835145} normal block at 0x00000123659FEB30, 141 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) : {3835142} normal block at 0x000001236599DA60, 8 bytes long.
 Data: <  &#239;e#   > 00 00 EF 65 23 01 00 00 
{3834545} normal block at 0x00000123659FE580, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001236599E2D0, 8 bytes long.
 Data: <p&#218;&#156;e#   > 70 DA 9C 65 23 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000123659A74B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000012365996900, 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 0x00000123659A5550, 16 bytes long.
 Data: <XO&#154;e#           > 58 4F 9A 65 23 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000123659A55A0, 16 bytes long.
 Data: <0O&#154;e#           > 30 4F 9A 65 23 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001236599FF40, 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 0x00000123659A5BE0, 16 bytes long.
 Data: < O&#154;e#           > 08 4F 9A 65 23 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000123659A5140, 16 bytes long.
 Data: <&#224;N&#154;e#           > E0 4E 9A 65 23 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000123659A56E0, 16 bytes long.
 Data: <&#184;N&#154;e#           > B8 4E 9A 65 23 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000123659A5500, 16 bytes long.
 Data: < N&#154;e#           > 90 4E 9A 65 23 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000123659A3260, 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 0x00000123659A5B40, 16 bytes long.
 Data: <8&#254; e#           > 38 FE 98 65 23 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001236599F8E0, 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 0x00000123659A50F0, 16 bytes long.
 Data: < &#254; e#           > 10 FE 98 65 23 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000123659A5C30, 16 bytes long.
 Data: <&#232;&#253; e#           > E8 FD 98 65 23 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000123659A5EB0, 16 bytes long.
 Data: <&#192;&#253; e#           > C0 FD 98 65 23 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000123659A5640, 16 bytes long.
 Data: < &#253; e#           > 98 FD 98 65 23 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000123659A5FA0, 16 bytes long.
 Data: <p&#253; e#           > 70 FD 98 65 23 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000123659A54B0, 16 bytes long.
 Data: <H&#253; e#           > 48 FD 98 65 23 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001236599F400, 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 0x00000123659A5460, 16 bytes long.
 Data: < &#253; e#           > 20 FD 98 65 23 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001236598FD20, 320 bytes long.
 Data: <`T&#154;e#    &#244; e#   > 60 54 9A 65 23 01 00 00 00 F4 99 65 23 01 00 00 
{277} normal block at 0x00000123659A5B90, 16 bytes long.
 Data: <pN&#154;e#           > 70 4E 9A 65 23 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000123659A59B0, 16 bytes long.
 Data: <HN&#154;e#           > 48 4E 9A 65 23 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001236599FC40, 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 0x00000123659A53C0, 16 bytes long.
 Data: < N&#154;e#           > 20 4E 9A 65 23 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001236599F460, 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 0x00000123659A5410, 16 bytes long.
 Data: <hM&#154;e#           > 68 4D 9A 65 23 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000123659A55F0, 16 bytes long.
 Data: <@M&#154;e#           > 40 4D 9A 65 23 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000123659A5190, 16 bytes long.
 Data: < M&#154;e#           > 18 4D 9A 65 23 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000123659A5DC0, 16 bytes long.
 Data: <&#240;L&#154;e#           > F0 4C 9A 65 23 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000123659A5AF0, 16 bytes long.
 Data: <&#200;L&#154;e#           > C8 4C 9A 65 23 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001236599DBF0, 16 bytes long.
 Data: <&#160;L&#154;e#           > A0 4C 9A 65 23 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001236599DB50, 16 bytes long.
 Data: <P/&#154;e#           > 50 2F 9A 65 23 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000123659A2F50, 40 bytes long.
 Data: <P&#219; e#   `&#138;xg#   > 50 DB 99 65 23 01 00 00 60 8A 78 67 23 01 00 00 
{263} normal block at 0x000001236599D9C0, 16 bytes long.
 Data: < L&#154;e#           > 80 4C 9A 65 23 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001236599D970, 16 bytes long.
 Data: <XL&#154;e#           > 58 4C 9A 65 23 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001236599F760, 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 0x000001236599E780, 16 bytes long.
 Data: <0L&#154;e#           > 30 4C 9A 65 23 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000123659A4C30, 992 bytes long.
 Data: < &#231; e#   `&#247; e#   > 80 E7 99 65 23 01 00 00 60 F7 99 65 23 01 00 00 
{95} normal block at 0x000001236599FD60, 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 0x000001236599E280, 16 bytes long.
 Data: <&#224;.&#154;e#           > E0 2E 9A 65 23 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000123659A2EE0, 40 bytes long.
 Data: < &#226; e#   `&#253; e#   > 80 E2 99 65 23 01 00 00 60 FD 99 65 23 01 00 00 
{72} normal block at 0x000001236599DE20, 16 bytes long.
 Data: < &#234;&#252; &#246;           > 80 EA FC 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001236599E230, 16 bytes long.
 Data: <@&#233;&#252; &#246;           > 40 E9 FC 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001236599E370, 16 bytes long.
 Data: <&#248;W&#249; &#246;           > F8 57 F9 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001236599DDD0, 16 bytes long.
 Data: <&#216;W&#249; &#246;           > D8 57 F9 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001236599E3C0, 16 bytes long.
 Data: <P &#249; &#246;           > 50 04 F9 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001236599DB00, 16 bytes long.
 Data: <0 &#249; &#246;           > 30 04 F9 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001236599E1E0, 16 bytes long.
 Data: <&#224; &#249; &#246;           > E0 02 F9 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001236599E7D0, 16 bytes long.
 Data: <  &#249; &#246;           > 10 04 F9 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001236599DA10, 16 bytes long.
 Data: <p &#249; &#246;           > 70 04 F9 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001236599E460, 16 bytes long.
 Data: < &#192;&#247; &#246;           > 18 C0 F7 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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