Task 38582822

Name	HIF2A_A36_A09_r0_5-QUICO_ATM_GAFF2_LOMAP_HIF2A-2-5-RND7634_0
Workunit	31547065
Created	13 Dec 2025, 12:31:25 UTC
Sent	13 Dec 2025, 12:31:26 UTC
Report deadline	18 Dec 2025, 12:31:26 UTC
Received	13 Dec 2025, 20:01:27 UTC
Server state	Over
Outcome	Computation error
Client state	Compute error
Exit status	195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID	584054
Run time	14 min 29 sec
CPU time	7 min 44 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	5,534.63 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	448.19 MB
Peak swap size	9.40 GB
Peak disk usage	4.30 GB
Stderr output

<core_client_version>7.20.2</core_client_version>
<![CDATA[
<message>
(unknown error) - exit code 195 (0xc3)</message>
<stderr_txt>
09:34:25 (26472): wrapper (7.9.26016): starting
09:34:25 (26472): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A36_A09_0.pdb
QB_A36_A09_0.xml
QB_A36_A09_equil.pdb
QB_A36_A09.inpcrd
QB_A36_A09_input.yaml
QB_A36_A09_mdlambda.pdb
QB_A36_A09_min.pdb
QB_A36_A09_npt.pdb
QB_A36_A09.pdb
QB_A36_A09.prmtop
QB_A36_A09_sys.xml
QB_A36_A09_therm.pdb
run.bat
run.sh
09:34:26 (26472): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:34:26 (26472): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835178} normal block at 0x0000020505218160, 8 bytes long.
 Data: <        > 00 00 C5 06 05 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3833956} normal block at 0x0000020506F12650, 1080 bytes long.
 Data: <t\      p       > 74 5C 00 00 CD CD CD CD 70 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000020505221360, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
10:05:18 (8400): wrapper (7.9.26016): starting
10:05:18 (8400): 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\16\tmp already exists.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849861} normal block at 0x000001ED1A787430, 8 bytes long.
 Data: <  n     > 00 00 6E 1A ED 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3848639} normal block at 0x000001ED1C4701B0, 1080 bytes long.
 Data: <`T              > 60 54 00 00 CD CD CD CD 04 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001ED1A7908A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
11:16:54 (24076): wrapper (7.9.26016): starting
11:16:54 (24076): 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\16\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849861} normal block at 0x0000020B1A8F6D00, 8 bytes long.
 Data: <        > 00 00 8C 1A 0B 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3848639} normal block at 0x0000020B1C648F70, 1080 bytes long.
 Data: <d               > 64 09 00 00 CD CD CD CD 0C 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000020B1A900710, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
11:24:29 (20872): wrapper (7.9.26016): starting
11:24:29 (20872): 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\16\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849861} normal block at 0x0000011815046B20, 8 bytes long.
 Data: <        > 00 00 FC 14 18 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3848639} normal block at 0x0000011816C90950, 1080 bytes long.
 Data: < L      ,       > 18 4C 00 00 CD CD CD CD 2C 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000118150508A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
11:50:23 (15752): wrapper (7.9.26016): starting
11:50:23 (15752): 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\16\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849861} normal block at 0x0000028A41B26F40, 8 bytes long.
 Data: <  cC    > 00 00 63 43 8A 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3848639} normal block at 0x0000028A438E8810, 1080 bytes long.
 Data: <        L       > E0 1A 00 00 CD CD CD CD 4C 03 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000028A41B327E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
11:56:07 (25188): wrapper (7.9.26016): starting
11:56:07 (25188): 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\16\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
11:59:27 (25188): C:/Windows/system32/cmd.exe exited; CPU time 192.328125
11:59:27 (25188): app exit status: 0x16
11:59:27 (25188): 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: 3014789 bytes.
Dumping objects ->
{3849949} normal block at 0x0000018017B16D20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3849938} normal block at 0x0000018017B16FC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3849927} normal block at 0x0000018017B17110, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3849916} normal block at 0x0000018017B17500, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3849905} normal block at 0x0000018017B175E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3849874} normal block at 0x0000018019725220, 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) : {3849861} normal block at 0x0000018017AE7BC0, 8 bytes long.
 Data: <  &#171;     > 00 00 AB 17 80 01 00 00 
{3848640} normal block at 0x0000018017AE7F30, 8 bytes long.
 Data: < &#233;&#188;     > 80 E9 BC 17 80 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000018017AF14A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000018017ADAD20, 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 0x0000018017AF2440, 16 bytes long.
 Data: <&#232;J&#175;             > E8 4A AF 17 80 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018017AF2A80, 16 bytes long.
 Data: <&#192;J&#175;             > C0 4A AF 17 80 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018017AEE010, 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 0x0000018017AF2990, 16 bytes long.
 Data: < J&#175;             > 98 4A AF 17 80 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018017AF2A30, 16 bytes long.
 Data: <pJ&#175;             > 70 4A AF 17 80 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018017AF3160, 16 bytes long.
 Data: <HJ&#175;             > 48 4A AF 17 80 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018017AF2FD0, 16 bytes long.
 Data: < J&#175;             > 20 4A AF 17 80 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018017AECA10, 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 0x0000018017AF23F0, 16 bytes long.
 Data: <H^&#173;             > 48 5E AD 17 80 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018017AEE6D0, 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 0x0000018017AF3250, 16 bytes long.
 Data: < ^&#173;             > 20 5E AD 17 80 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018017AF3110, 16 bytes long.
 Data: <&#248;]&#173;             > F8 5D AD 17 80 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018017AF2F80, 16 bytes long.
 Data: <&#208;]&#173;             > D0 5D AD 17 80 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018017AF2620, 16 bytes long.
 Data: <&#168;]&#173;             > A8 5D AD 17 80 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018017AF2B70, 16 bytes long.
 Data: < ]&#173;             > 80 5D AD 17 80 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018017AF2F30, 16 bytes long.
 Data: <X]&#173;             > 58 5D AD 17 80 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018017AEE490, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000018017AF3070, 16 bytes long.
 Data: <0]&#173;             > 30 5D AD 17 80 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018017AD5D30, 320 bytes long.
 Data: <p0&#175;      &#228;&#174;     > 70 30 AF 17 80 01 00 00 90 E4 AE 17 80 01 00 00 
{274} normal block at 0x0000018017AF3200, 16 bytes long.
 Data: < J&#175;             > 00 4A AF 17 80 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018017AF2EE0, 16 bytes long.
 Data: <&#216;I&#175;             > D8 49 AF 17 80 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018017AEE430, 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 0x0000018017AF2940, 16 bytes long.
 Data: <&#176;I&#175;             > B0 49 AF 17 80 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018017AEE3D0, 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 0x0000018017AF2E90, 16 bytes long.
 Data: <&#248;H&#175;             > F8 48 AF 17 80 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018017AF28A0, 16 bytes long.
 Data: <&#208;H&#175;             > D0 48 AF 17 80 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018017AF32A0, 16 bytes long.
 Data: <&#168;H&#175;             > A8 48 AF 17 80 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018017AF2760, 16 bytes long.
 Data: < H&#175;             > 80 48 AF 17 80 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018017AF2800, 16 bytes long.
 Data: <XH&#175;             > 58 48 AF 17 80 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018017AF2580, 16 bytes long.
 Data: <0H&#175;             > 30 48 AF 17 80 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018017AF2BC0, 16 bytes long.
 Data: <&#160;&#201;&#174;             > A0 C9 AE 17 80 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018017AEC9A0, 40 bytes long.
 Data: <&#192;+&#175;      Rr     > C0 2B AF 17 80 01 00 00 20 52 72 19 80 01 00 00 
{260} normal block at 0x0000018017AF2710, 16 bytes long.
 Data: < H&#175;             > 10 48 AF 17 80 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018017AF2D00, 16 bytes long.
 Data: <&#232;G&#175;             > E8 47 AF 17 80 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000018017AEE910, 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 0x0000018017AF28F0, 16 bytes long.
 Data: <&#192;G&#175;             > C0 47 AF 17 80 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000018017AF47C0, 992 bytes long.
 Data: <&#240;(&#175;      &#233;&#174;     > F0 28 AF 17 80 01 00 00 10 E9 AE 17 80 01 00 00 
{92} normal block at 0x0000018017AEEA90, 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 0x0000018017AE8160, 16 bytes long.
 Data: <`&#203;&#174;             > 60 CB AE 17 80 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000018017AECB60, 40 bytes long.
 Data: <` &#174;      &#234;&#174;     > 60 81 AE 17 80 01 00 00 90 EA AE 17 80 01 00 00 
{69} normal block at 0x0000018017AE7940, 16 bytes long.
 Data: < &#234;&#249;&#222;&#247;           > 80 EA F9 DE F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018017AE8110, 16 bytes long.
 Data: <@&#233;&#249;&#222;&#247;           > 40 E9 F9 DE F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018017AE8430, 16 bytes long.
 Data: <&#248;W&#246;&#222;&#247;           > F8 57 F6 DE F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018017AE7B70, 16 bytes long.
 Data: <&#216;W&#246;&#222;&#247;           > D8 57 F6 DE F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018017AE77B0, 16 bytes long.
 Data: <P &#246;&#222;&#247;           > 50 04 F6 DE F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018017AE7E40, 16 bytes long.
 Data: <0 &#246;&#222;&#247;           > 30 04 F6 DE F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000018017AE7760, 16 bytes long.
 Data: <&#224; &#246;&#222;&#247;           > E0 02 F6 DE F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000018017AE7710, 16 bytes long.
 Data: <  &#246;&#222;&#247;           > 10 04 F6 DE F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000018017AE7850, 16 bytes long.
 Data: <p &#246;&#222;&#247;           > 70 04 F6 DE F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000018017AE7670, 16 bytes long.
 Data: < &#192;&#244;&#222;&#247;           > 18 C0 F4 DE F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>