Task 38613301

Name p38_A27_A06_r0_2-QUICO_ATM_OpenFF_p38-1-6-RND7703_1
Workunit 31564912
Created 16 Apr 2026, 18:22:15 UTC
Sent 16 Apr 2026, 18:22:22 UTC
Report deadline 21 Apr 2026, 18:22:22 UTC
Received 17 Apr 2026, 1:07:38 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 535175
Run time 8 min 2 sec
CPU time 9 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 11,344.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 614.92 MB
Peak swap size 6.72 GB
Peak disk usage 4.45 GB

Stderr output

<core_client_version>7.20.2</core_client_version>
<![CDATA[
<message>
(unknown error) - exit code 195 (0xc3)</message>
<stderr_txt>
12:25:34 (2756): wrapper (7.9.26016): starting
12:25:34 (2756): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A06_0.pdb
QB_A27_A06_0.xml
QB_A27_A06.inpcrd
QB_A27_A06_input.yaml
QB_A27_A06.pdb
QB_A27_A06.prmtop
QB_A27_A06_sys.xml
run.bat
run.sh
12:25:36 (2756): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:25:36 (2756): 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\2\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\2\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) : {3835309} normal block at 0x0000029A650D6C30, 8 bytes long.
 Data: <   f    > 00 00 C4 66 9A 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3833944} normal block at 0x0000029A66C33B20, 1080 bytes long.
 Data: <                > FC 12 00 00 CD CD CD CD 14 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000029A650E0100, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
19:05:29 (2340): wrapper (7.9.26016): starting
19:05:29 (2340): 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\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
19:05:49 (2340): C:/Windows/system32/cmd.exe exited; CPU time 9.093750
19:05:49 (2340): app exit status: 0x16
19:05:49 (2340): 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: 208404 bytes.
Dumping objects ->
{3850080} normal block at 0x000001B17A46F210, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850069} normal block at 0x000001B17A46F910, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850058} normal block at 0x000001B17A46F280, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3850047} normal block at 0x000001B17A46F3D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850036} normal block at 0x000001B17A46FD00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3850005} normal block at 0x000001B17A49BDB0, 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) : {3849992} normal block at 0x000001B178996970, 8 bytes long.
 Data: <  &#148;x&#177;   > 00 00 94 78 B1 01 00 00 
{3848628} normal block at 0x000001B1789970A0, 8 bytes long.
 Data: <P Fz&#177;   > 50 98 46 7A B1 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001B1789A0110, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B17898AE60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000001B1789A1650, 16 bytes long.
 Data: <X7&#154;x&#177;           > 58 37 9A 78 B1 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B1789A14C0, 16 bytes long.
 Data: <07&#154;x&#177;           > 30 37 9A 78 B1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B17899CE90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000001B1789A1970, 16 bytes long.
 Data: < 7&#154;x&#177;           > 08 37 9A 78 B1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B1789A18D0, 16 bytes long.
 Data: <&#224;6&#154;x&#177;           > E0 36 9A 78 B1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B1789A1470, 16 bytes long.
 Data: <&#184;6&#154;x&#177;           > B8 36 9A 78 B1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B1789A1420, 16 bytes long.
 Data: < 6&#154;x&#177;           > 90 36 9A 78 B1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B17899B860, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000001B1789A1380, 16 bytes long.
 Data: <(&#197; x&#177;           > 28 C5 99 78 B1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B17899D5B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000001B1789A1600, 16 bytes long.
 Data: < &#197; x&#177;           > 00 C5 99 78 B1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B1789A1330, 16 bytes long.
 Data: <&#216;&#196; x&#177;           > D8 C4 99 78 B1 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B1789A1BA0, 16 bytes long.
 Data: <&#176;&#196; x&#177;           > B0 C4 99 78 B1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B1789A12E0, 16 bytes long.
 Data: < &#196; x&#177;           > 88 C4 99 78 B1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B1789A1510, 16 bytes long.
 Data: <`&#196; x&#177;           > 60 C4 99 78 B1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B1789A1C40, 16 bytes long.
 Data: <8&#196; x&#177;           > 38 C4 99 78 B1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B17899D2B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000001B1789A1100, 16 bytes long.
 Data: < &#196; x&#177;           > 10 C4 99 78 B1 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B17899C410, 320 bytes long.
 Data: <  &#154;x&#177;   &#176;&#210; x&#177;   > 00 11 9A 78 B1 01 00 00 B0 D2 99 78 B1 01 00 00 
{268} normal block at 0x000001B1789A15B0, 16 bytes long.
 Data: <p6&#154;x&#177;           > 70 36 9A 78 B1 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B1789A1B50, 16 bytes long.
 Data: <H6&#154;x&#177;           > 48 36 9A 78 B1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B17899C950, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000001B1789A1B00, 16 bytes long.
 Data: < 6&#154;x&#177;           > 20 36 9A 78 B1 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B17899D250, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000001B1789A1060, 16 bytes long.
 Data: <h5&#154;x&#177;           > 68 35 9A 78 B1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B1789A1DD0, 16 bytes long.
 Data: <@5&#154;x&#177;           > 40 35 9A 78 B1 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B1789A16F0, 16 bytes long.
 Data: < 5&#154;x&#177;           > 18 35 9A 78 B1 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B1789A1A10, 16 bytes long.
 Data: <&#240;4&#154;x&#177;           > F0 34 9A 78 B1 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B1789A1290, 16 bytes long.
 Data: <&#200;4&#154;x&#177;           > C8 34 9A 78 B1 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B1789A1880, 16 bytes long.
 Data: <&#160;4&#154;x&#177;           > A0 34 9A 78 B1 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001B1789A1FB0, 16 bytes long.
 Data: <p&#180; x&#177;           > 70 B4 99 78 B1 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001B17899B470, 40 bytes long.
 Data: <&#176; &#154;x&#177;   &#176;&#189;Iz&#177;   > B0 1F 9A 78 B1 01 00 00 B0 BD 49 7A B1 01 00 00 
{254} normal block at 0x000001B1789A1CE0, 16 bytes long.
 Data: < 4&#154;x&#177;           > 80 34 9A 78 B1 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001B1789A1E70, 16 bytes long.
 Data: <X4&#154;x&#177;           > 58 34 9A 78 B1 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001B17899C770, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000001B1789A1A60, 16 bytes long.
 Data: <04&#154;x&#177;           > 30 34 9A 78 B1 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001B1789A3430, 992 bytes long.
 Data: <` &#154;x&#177;   p&#199; x&#177;   > 60 1A 9A 78 B1 01 00 00 70 C7 99 78 B1 01 00 00 
{86} normal block at 0x000001B17899CC50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000001B178996740, 16 bytes long.
 Data: <@&#178; x&#177;           > 40 B2 99 78 B1 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001B17899B240, 40 bytes long.
 Data: <@g x&#177;   P&#204; x&#177;   > 40 67 99 78 B1 01 00 00 50 CC 99 78 B1 01 00 00 
{63} normal block at 0x000001B178996420, 16 bytes long.
 Data: < &#234;&#140;&#167;&#247;           > 80 EA 8C A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B178996C40, 16 bytes long.
 Data: <@&#233;&#140;&#167;&#247;           > 40 E9 8C A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B178996A10, 16 bytes long.
 Data: <&#248;W&#137;&#167;&#247;           > F8 57 89 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B178996CE0, 16 bytes long.
 Data: <&#216;W&#137;&#167;&#247;           > D8 57 89 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001B178996600, 16 bytes long.
 Data: <P &#137;&#167;&#247;           > 50 04 89 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001B178997190, 16 bytes long.
 Data: <0 &#137;&#167;&#247;           > 30 04 89 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001B178997140, 16 bytes long.
 Data: <&#224; &#137;&#167;&#247;           > E0 02 89 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001B178996920, 16 bytes long.
 Data: <  &#137;&#167;&#247;           > 10 04 89 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001B178997230, 16 bytes long.
 Data: <p &#137;&#167;&#247;           > 70 04 89 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001B178997000, 16 bytes long.
 Data: < &#192;&#135;&#167;&#247;           > 18 C0 87 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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