Task 38582162

Name HIF2A_A41_A18_r0_3-QUICO_ATM_GAFF2_LOMAP_HIF2A-2-5-RND0062_0
Workunit 31546520
Created 12 Dec 2025, 22:26:32 UTC
Sent 12 Dec 2025, 22:26:40 UTC
Report deadline 17 Dec 2025, 22:26:40 UTC
Received 13 Dec 2025, 18:46:02 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 629206
Run time 3 hours 51 min 53 sec
CPU time 3 hours 51 min 53 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 12,851.13 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 449.49 MB
Peak swap size 4.98 GB
Peak disk usage 3.71 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
The operating system cannot run .
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
22:27:37 (26572): wrapper (7.9.26016): starting
22:27:37 (26572): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A41_A18_0.pdb
QB_A41_A18_0.xml
QB_A41_A18_equil.pdb
QB_A41_A18.inpcrd
QB_A41_A18_input.yaml
QB_A41_A18_mdlambda.pdb
QB_A41_A18_min.pdb
QB_A41_A18_npt.pdb
QB_A41_A18.pdb
QB_A41_A18.prmtop
QB_A41_A18_sys.xml
QB_A41_A18_therm.pdb
run.bat
run.sh
22:27:38 (26572): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:27:38 (26572): 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\0\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\0\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.
12:01:13 (13656): wrapper (7.9.26016): starting
12:01:13 (13656): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
15:43:00 (17572): wrapper (7.9.26016): starting
15:43:00 (17572): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
15:57:09 (37548): wrapper (7.9.26016): starting
15:57:09 (37548): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
16:05:08 (37548): C:/Windows/system32/cmd.exe exited; CPU time 466.046875
16:05:08 (37548): app exit status: 0x40010004
16:05:08 (37548): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 8882972 bytes.
Dumping objects ->
{3850295} normal block at 0x000001AD1B6CCA00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850284} normal block at 0x000001AD1B6CCFB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850273} normal block at 0x000001AD1B6CCCA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3850262} normal block at 0x000001AD19AA0710, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850251} normal block at 0x000001AD19AA0630, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3850220} normal block at 0x000001AD1B71B860, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3850207} normal block at 0x000001AD19A9D740, 8 bytes long.
 Data: <    &#173;   > 00 00 05 1A AD 01 00 00 
{3848650} normal block at 0x000001AD19A9DBA0, 8 bytes long.
 Data: <&#176;&#214;&#168; &#173;   > B0 D6 A8 19 AD 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001AD19A91220, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001AD19A91B90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001AD19AA6220, 16 bytes long.
 Data: < g&#170; &#173;           > 98 67 AA 19 AD 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001AD19AA5E10, 16 bytes long.
 Data: <pg&#170; &#173;           > 70 67 AA 19 AD 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001AD19AA15F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001AD19AA5FF0, 16 bytes long.
 Data: <Hg&#170; &#173;           > 48 67 AA 19 AD 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001AD19AA5DC0, 16 bytes long.
 Data: < g&#170; &#173;           > 20 67 AA 19 AD 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001AD19AA5960, 16 bytes long.
 Data: <&#248;f&#170; &#173;           > F8 66 AA 19 AD 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001AD19AA55F0, 16 bytes long.
 Data: <&#208;f&#170; &#173;           > D0 66 AA 19 AD 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001AD19AA07F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001AD19AA5870, 16 bytes long.
 Data: <&#232; &#169; &#173;           > E8 06 A9 19 AD 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001AD19AA13B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001AD19AA5500, 16 bytes long.
 Data: <&#192; &#169; &#173;           > C0 06 A9 19 AD 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001AD19AA5D70, 16 bytes long.
 Data: <  &#169; &#173;           > 98 06 A9 19 AD 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001AD19AA60E0, 16 bytes long.
 Data: <p &#169; &#173;           > 70 06 A9 19 AD 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001AD19AA54B0, 16 bytes long.
 Data: <H &#169; &#173;           > 48 06 A9 19 AD 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001AD19AA5B90, 16 bytes long.
 Data: <  &#169; &#173;           > 20 06 A9 19 AD 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001AD19AA5FA0, 16 bytes long.
 Data: <&#248; &#169; &#173;           > F8 05 A9 19 AD 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001AD19AA0FF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001AD19AA6400, 16 bytes long.
 Data: <&#208; &#169; &#173;           > D0 05 A9 19 AD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001AD19A905D0, 320 bytes long.
 Data: < d&#170; &#173;   &#240; &#170; &#173;   > 00 64 AA 19 AD 01 00 00 F0 0F AA 19 AD 01 00 00 
{279} normal block at 0x000001AD19AA5EB0, 16 bytes long.
 Data: <&#176;f&#170; &#173;           > B0 66 AA 19 AD 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001AD19AA5CD0, 16 bytes long.
 Data: < f&#170; &#173;           > 88 66 AA 19 AD 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001AD19AA0BD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001AD19AA5D20, 16 bytes long.
 Data: <`f&#170; &#173;           > 60 66 AA 19 AD 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001AD19AA1350, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001AD19AA5BE0, 16 bytes long.
 Data: <&#168;e&#170; &#173;           > A8 65 AA 19 AD 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001AD19AA6040, 16 bytes long.
 Data: < e&#170; &#173;           > 80 65 AA 19 AD 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001AD19AA5B40, 16 bytes long.
 Data: <Xe&#170; &#173;           > 58 65 AA 19 AD 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001AD19AA5F00, 16 bytes long.
 Data: <0e&#170; &#173;           > 30 65 AA 19 AD 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001AD19AA63B0, 16 bytes long.
 Data: < e&#170; &#173;           > 08 65 AA 19 AD 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001AD19AA6360, 16 bytes long.
 Data: <&#224;d&#170; &#173;           > E0 64 AA 19 AD 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001AD19AA5E60, 16 bytes long.
 Data: <&#160; &#170; &#173;           > A0 06 AA 19 AD 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001AD19AA06A0, 40 bytes long.
 Data: <`^&#170; &#173;   `&#184;q &#173;   > 60 5E AA 19 AD 01 00 00 60 B8 71 1B AD 01 00 00 
{265} normal block at 0x000001AD19AA5C30, 16 bytes long.
 Data: <&#192;d&#170; &#173;           > C0 64 AA 19 AD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001AD19AA5A50, 16 bytes long.
 Data: < d&#170; &#173;           > 98 64 AA 19 AD 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001AD19AA1830, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001AD19AA5F50, 16 bytes long.
 Data: <pd&#170; &#173;           > 70 64 AA 19 AD 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001AD19AA6470, 992 bytes long.
 Data: <P_&#170; &#173;   0 &#170; &#173;   > 50 5F AA 19 AD 01 00 00 30 18 AA 19 AD 01 00 00 
{97} normal block at 0x000001AD19AA09F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001AD19A9D010, 16 bytes long.
 Data: <&#240; &#170; &#173;           > F0 00 AA 19 AD 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001AD19AA00F0, 40 bytes long.
 Data: < &#208;&#169; &#173;   &#240;	&#170; &#173;   > 10 D0 A9 19 AD 01 00 00 F0 09 AA 19 AD 01 00 00 
{74} normal block at 0x000001AD19A9DC40, 16 bytes long.
 Data: < &#234;eu&#246;           > 80 EA 65 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001AD19A9D830, 16 bytes long.
 Data: <@&#233;eu&#246;           > 40 E9 65 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001AD19A9DAB0, 16 bytes long.
 Data: <&#248;Wbu&#246;           > F8 57 62 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001AD19A9DA60, 16 bytes long.
 Data: <&#216;Wbu&#246;           > D8 57 62 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001AD19A9D790, 16 bytes long.
 Data: <P bu&#246;           > 50 04 62 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001AD19A9D380, 16 bytes long.
 Data: <0 bu&#246;           > 30 04 62 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001AD19A9CFC0, 16 bytes long.
 Data: <&#224; bu&#246;           > E0 02 62 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001AD19A9DD80, 16 bytes long.
 Data: <  bu&#246;           > 10 04 62 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001AD19A9D290, 16 bytes long.
 Data: <p bu&#246;           > 70 04 62 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001AD19A9D8D0, 16 bytes long.
 Data: < &#192;`u&#246;           > 18 C0 60 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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