Task 38581541

Name HIF2A_A40_A15_r0_5-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND8111_0
Workunit 31546061
Created 12 Dec 2025, 10:51:37 UTC
Sent 12 Dec 2025, 10:52:27 UTC
Report deadline 17 Dec 2025, 10:52:27 UTC
Received 12 Dec 2025, 16:52:27 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 642459
Run time 5 hours 27 min 8 sec
CPU time 5 hours 27 min 8 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 109,327.48 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 519.61 MB
Peak swap size 18.54 GB
Peak disk usage 2.93 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
18:55:50 (22876): wrapper (7.9.26016): starting
18:55:50 (22876): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A40_A15_0.pdb
QB_A40_A15_0.xml
QB_A40_A15_equil.pdb
QB_A40_A15.inpcrd
QB_A40_A15_input.yaml
QB_A40_A15_mdlambda.pdb
QB_A40_A15_min.pdb
QB_A40_A15_npt.pdb
QB_A40_A15.pdb
QB_A40_A15.prmtop
QB_A40_A15_sys.xml
QB_A40_A15_therm.pdb
run.bat
run.sh
18:55:52 (22876): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:55:52 (22876): 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\16\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\16\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.
23:51:20 (22876): C:/Windows/system32/cmd.exe exited; CPU time 19628.578125
23:51:20 (22876): app exit status: 0xc0000142
23:51:20 (22876): 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: 280672087 bytes.
Dumping objects ->
{3835316} normal block at 0x0000020AFF0A2820, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835305} normal block at 0x0000020AFF0A2740, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835294} normal block at 0x0000020AFF0A2580, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835283} normal block at 0x0000020AFF0A26D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835272} normal block at 0x0000020AFF0A1D30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835241} normal block at 0x0000020AFEFCC460, 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) : {3835228} normal block at 0x0000020AFD153430, 8 bytes long.
 Data: <   &#253;    > 00 00 0C FD 0A 02 00 00 
{3833957} normal block at 0x0000020AFD152F80, 8 bytes long.
 Data: <&#176;  &#255;    > B0 07 0A FF 0A 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000020AFD135FB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020AFD13B200, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000020AFD148AA0, 16 bytes long.
 Data: < J &#253;            > 08 4A 15 FD 0A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020AFD148A00, 16 bytes long.
 Data: <&#224;I &#253;            > E0 49 15 FD 0A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020AFD14E100, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000020AFD1489B0, 16 bytes long.
 Data: <&#184;I &#253;            > B8 49 15 FD 0A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020AFD148960, 16 bytes long.
 Data: < I &#253;            > 90 49 15 FD 0A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020AFD148910, 16 bytes long.
 Data: <hI &#253;            > 68 49 15 FD 0A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020AFD1488C0, 16 bytes long.
 Data: <@I &#253;            > 40 49 15 FD 0A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020AFD14F740, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000020AFD149810, 16 bytes long.
 Data: <&#184;&#240; &#253;            > B8 F0 14 FD 0A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020AFD14DD40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000020AFD1497C0, 16 bytes long.
 Data: < &#240; &#253;            > 90 F0 14 FD 0A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020AFD1493B0, 16 bytes long.
 Data: <h&#240; &#253;            > 68 F0 14 FD 0A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020AFD149360, 16 bytes long.
 Data: <@&#240; &#253;            > 40 F0 14 FD 0A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020AFD149310, 16 bytes long.
 Data: < &#240; &#253;            > 18 F0 14 FD 0A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020AFD1533E0, 16 bytes long.
 Data: <&#240;&#239; &#253;            > F0 EF 14 FD 0A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020AFD1532F0, 16 bytes long.
 Data: <&#200;&#239; &#253;            > C8 EF 14 FD 0A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020AFD14E340, 32 bytes long.
 Data: <CUDA_DEVICE=3 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 33 00 50 55 
{276} normal block at 0x0000020AFD1532A0, 16 bytes long.
 Data: <&#160;&#239; &#253;            > A0 EF 14 FD 0A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020AFD14EFA0, 320 bytes long.
 Data: <&#160;2 &#253;    @&#227; &#253;    > A0 32 15 FD 0A 02 00 00 40 E3 14 FD 0A 02 00 00 
{274} normal block at 0x0000020AFD153250, 16 bytes long.
 Data: < I &#253;            > 20 49 15 FD 0A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020AFD153610, 16 bytes long.
 Data: <&#248;H &#253;            > F8 48 15 FD 0A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020AFD14DFE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000020AFD153160, 16 bytes long.
 Data: <&#208;H &#253;            > D0 48 15 FD 0A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020AFD14DEC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000020AFD153200, 16 bytes long.
 Data: < H &#253;            > 18 48 15 FD 0A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020AFD1535C0, 16 bytes long.
 Data: <&#240;G &#253;            > F0 47 15 FD 0A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020AFD153110, 16 bytes long.
 Data: <&#200;G &#253;            > C8 47 15 FD 0A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020AFD153070, 16 bytes long.
 Data: <&#160;G &#253;            > A0 47 15 FD 0A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020AFD153570, 16 bytes long.
 Data: <xG &#253;            > 78 47 15 FD 0A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020AFD152F30, 16 bytes long.
 Data: <PG &#253;            > 50 47 15 FD 0A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020AFD153480, 16 bytes long.
 Data: <0&#244; &#253;            > 30 F4 14 FD 0A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020AFD14F430, 40 bytes long.
 Data: < 4 &#253;    `&#196;&#252;&#254;    > 80 34 15 FD 0A 02 00 00 60 C4 FC FE 0A 02 00 00 
{260} normal block at 0x0000020AFD1530C0, 16 bytes long.
 Data: <0G &#253;            > 30 47 15 FD 0A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020AFD152EE0, 16 bytes long.
 Data: < G &#253;            > 08 47 15 FD 0A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020AFD14DC20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000020AFD152FD0, 16 bytes long.
 Data: <&#224;F &#253;            > E0 46 15 FD 0A 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020AFD1546E0, 992 bytes long.
 Data: <&#208;/ &#253;     &#220; &#253;    > D0 2F 15 FD 0A 02 00 00 20 DC 14 FD 0A 02 00 00 
{92} normal block at 0x0000020AFD14DE00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000020AFD149720, 16 bytes long.
 Data: < &#245; &#253;            > 80 F5 14 FD 0A 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000020AFD14F580, 40 bytes long.
 Data: < &#151; &#253;     &#222; &#253;    > 20 97 14 FD 0A 02 00 00 00 DE 14 FD 0A 02 00 00 
{69} normal block at 0x0000020AFD1490E0, 16 bytes long.
 Data: < &#234;] &#246;           > 80 EA 5D 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020AFD149270, 16 bytes long.
 Data: <@&#233;] &#246;           > 40 E9 5D 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020AFD148D70, 16 bytes long.
 Data: <&#248;WZ &#246;           > F8 57 5A 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020AFD148E60, 16 bytes long.
 Data: <&#216;WZ &#246;           > D8 57 5A 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020AFD1495E0, 16 bytes long.
 Data: <P Z &#246;           > 50 04 5A 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020AFD148F50, 16 bytes long.
 Data: <0 Z &#246;           > 30 04 5A 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020AFD148B40, 16 bytes long.
 Data: <&#224; Z &#246;           > E0 02 5A 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020AFD149590, 16 bytes long.
 Data: <  Z &#246;           > 10 04 5A 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020AFD148FF0, 16 bytes long.
 Data: <p Z &#246;           > 70 04 5A 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020AFD1494A0, 16 bytes long.
 Data: < &#192;X &#246;           > 18 C0 58 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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