Task 38642978

Name shp2_A03_A13_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND6938_0
Workunit 31589599
Created 7 May 2026, 10:33:26 UTC
Sent 7 May 2026, 10:33:32 UTC
Report deadline 12 May 2026, 10:33:32 UTC
Received 7 May 2026, 10:39:13 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 550955
Run time 1 min 33 sec
CPU time 2 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 23,247.12 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 50.85 MB
Peak swap size 36.89 MB
Peak disk usage 1.42 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann <sporadic_ac> nicht ausf�hren.
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
12:34:58 (21124): wrapper (7.9.26016): starting
12:34:58 (21124): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A03_A13_0.pdb
QB_A03_A13_0.xml
QB_A03_A13.inpcrd
QB_A03_A13_input.yaml
QB_A03_A13.pdb
QB_A03_A13.prmtop
QB_A03_A13_sys.xml
run.bat
run.sh
12:35:00 (21124): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:35:00 (21124): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001B215D7BA10>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=3, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001B215D80590>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=2, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001B215D80C10>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=1, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001B215D81590>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=0, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001B215D81F90>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
ERROR: Could not find a version that satisfies the requirement pyaml (from versions: none)
ERROR: No matching distribution found for pyaml
WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x00000271A6890750>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=3, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x00000271A6891D10>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=2, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x00000271A6892D50>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=1, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x00000271A6893850>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=0, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x00000271A68A84D0>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/atom-openmm/
ERROR: Could not find a version that satisfies the requirement atom-openmm (from versions: none)
ERROR: No matching distribution found for atom-openmm
python.exe: can't open file 'C:\\ProgramData\\BOINC\\slots\\24\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
12:35:58 (21124): C:/Windows/system32/cmd.exe exited; CPU time 2.156250
12:35:58 (21124): app exit status: 0x16
12:35:58 (21124): called boinc_finish(195)
0 bytes in 0 Free Blocks.
726 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: 842277 bytes.
Dumping objects ->
{3835251} normal block at 0x000001E29EF024E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x000001E29D220550, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000001E29D2204E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835218} normal block at 0x000001E29D220860, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x000001E29D2207F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835176} normal block at 0x000001E29EFCAF00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x000001E29D24A780, 235 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) : {3835162} normal block at 0x000001E29D21D970, 8 bytes long.
 Data: <    &#226;   > 00 00 18 9D E2 01 00 00 
{3834559} normal block at 0x000001E29D20EEC0, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000001E29D21D8D0, 8 bytes long.
 Data: <pJ &#159;&#226;   > 70 4A 05 9F E2 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001E29D210F60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E29D212350, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001E29D226130, 16 bytes long.
 Data: < g" &#226;           > 98 67 22 9D E2 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E29D225960, 16 bytes long.
 Data: <pg" &#226;           > 70 67 22 9D E2 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E29D220C20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001E29D2261D0, 16 bytes long.
 Data: <Hg" &#226;           > 48 67 22 9D E2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E29D226220, 16 bytes long.
 Data: < g" &#226;           > 20 67 22 9D E2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E29D225AF0, 16 bytes long.
 Data: <&#248;f" &#226;           > F8 66 22 9D E2 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E29D225D70, 16 bytes long.
 Data: <&#208;f" &#226;           > D0 66 22 9D E2 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E29D2206A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001E29D225730, 16 bytes long.
 Data: < &#243;  &#226;           > 08 F3 20 9D E2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E29D2218E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001E29D225640, 16 bytes long.
 Data: <&#224;&#242;  &#226;           > E0 F2 20 9D E2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E29D226090, 16 bytes long.
 Data: <&#184;&#242;  &#226;           > B8 F2 20 9D E2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E29D2255A0, 16 bytes long.
 Data: < &#242;  &#226;           > 90 F2 20 9D E2 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E29D225550, 16 bytes long.
 Data: <h&#242;  &#226;           > 68 F2 20 9D E2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E29D225F00, 16 bytes long.
 Data: <@&#242;  &#226;           > 40 F2 20 9D E2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E29D226400, 16 bytes long.
 Data: < &#242;  &#226;           > 18 F2 20 9D E2 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E29D220D40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001E29D226360, 16 bytes long.
 Data: <&#240;&#241;  &#226;           > F0 F1 20 9D E2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E29D20F1F0, 320 bytes long.
 Data: <`c" &#226;   @ " &#226;   > 60 63 22 9D E2 01 00 00 40 0D 22 9D E2 01 00 00 
{273} normal block at 0x000001E29D225CD0, 16 bytes long.
 Data: <&#176;f" &#226;           > B0 66 22 9D E2 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E29D225500, 16 bytes long.
 Data: < f" &#226;           > 88 66 22 9D E2 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E29D220FE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001E29D225820, 16 bytes long.
 Data: <`f" &#226;           > 60 66 22 9D E2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E29D221A60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001E29D2259B0, 16 bytes long.
 Data: <&#168;e" &#226;           > A8 65 22 9D E2 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E29D2254B0, 16 bytes long.
 Data: < e" &#226;           > 80 65 22 9D E2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E29D225A00, 16 bytes long.
 Data: <Xe" &#226;           > 58 65 22 9D E2 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E29D2255F0, 16 bytes long.
 Data: <0e" &#226;           > 30 65 22 9D E2 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E29D225E10, 16 bytes long.
 Data: < e" &#226;           > 08 65 22 9D E2 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E29D225C80, 16 bytes long.
 Data: <&#224;d" &#226;           > E0 64 22 9D E2 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E29D225B40, 16 bytes long.
 Data: <&#176;	" &#226;           > B0 09 22 9D E2 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E29D2209B0, 40 bytes long.
 Data: <@[" &#226;    &#175;&#252;&#158;&#226;   > 40 5B 22 9D E2 01 00 00 00 AF FC 9E E2 01 00 00 
{259} normal block at 0x000001E29D2262C0, 16 bytes long.
 Data: <&#192;d" &#226;           > C0 64 22 9D E2 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E29D225C30, 16 bytes long.
 Data: < d" &#226;           > 98 64 22 9D E2 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001E29D221640, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001E29D225B90, 16 bytes long.
 Data: <pd" &#226;           > 70 64 22 9D E2 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001E29D226470, 992 bytes long.
 Data: < [" &#226;   @ " &#226;   > 90 5B 22 9D E2 01 00 00 40 16 22 9D E2 01 00 00 
{91} normal block at 0x000001E29D221880, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001E29D21D330, 16 bytes long.
 Data: <`&#233;  &#226;           > 60 E9 20 9D E2 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001E29D20E960, 40 bytes long.
 Data: <0&#211;! &#226;     " &#226;   > 30 D3 21 9D E2 01 00 00 80 18 22 9D E2 01 00 00 
{68} normal block at 0x000001E29D21DBF0, 16 bytes long.
 Data: < &#234;&#203;K&#247;           > 80 EA CB 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E29D21DD80, 16 bytes long.
 Data: <@&#233;&#203;K&#247;           > 40 E9 CB 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E29D21DEC0, 16 bytes long.
 Data: <&#248;W&#200;K&#247;           > F8 57 C8 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E29D21D650, 16 bytes long.
 Data: <&#216;W&#200;K&#247;           > D8 57 C8 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E29D21D920, 16 bytes long.
 Data: <P &#200;K&#247;           > 50 04 C8 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E29D21DB00, 16 bytes long.
 Data: <0 &#200;K&#247;           > 30 04 C8 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E29D21D740, 16 bytes long.
 Data: <&#224; &#200;K&#247;           > E0 02 C8 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E29D21D2E0, 16 bytes long.
 Data: <  &#200;K&#247;           > 10 04 C8 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001E29D21D790, 16 bytes long.
 Data: <p &#200;K&#247;           > 70 04 C8 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001E29D21D7E0, 16 bytes long.
 Data: < &#192;&#198;K&#247;           > 18 C0 C6 4B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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