Task 38604592
| Name | BACE_A22_A34_r0_3-QUICO_ATM_GAFF2_NAGL_BACE-5-6-RND5628_0 |
| Workunit | 31558695 |
| Created | 12 Apr 2026, 10:45:18 UTC |
| Sent | 12 Apr 2026, 10:45:20 UTC |
| Report deadline | 17 Apr 2026, 10:45:20 UTC |
| Received | 12 Apr 2026, 11:46:53 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 609939 |
| Run time | 5 min 23 sec |
| CPU time | 2 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 6,878.95 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 47.84 MB |
| Peak swap size | 36.99 MB |
| Peak disk usage | 4.07 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
12:50:56 (4704): wrapper (7.9.26016): starting
12:50:56 (4704): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A22_A34_0.pdb
QB_A22_A34_0.xml
QB_A22_A34.inpcrd
QB_A22_A34_input.yaml
QB_A22_A34.pdb
QB_A22_A34.prmtop
QB_A22_A34_sys.xml
run.bat
run.sh
12:51:02 (4704): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:51:02 (4704): 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 0x0000025F240A8B10>: 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 0x0000025F240BC7D0>: 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 0x0000025F240BCE90>: 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 0x0000025F240BD7D0>: 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 0x0000025F240BE1D0>: 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 0x000001EAD9A91090>: 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 0x000001EAD9A91DD0>: 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 0x000001EAD9A929D0>: 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 0x000001EAD9A93610>: 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 0x000001EAD9AAC210>: 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\\0\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
12:51:38 (4704): C:/Windows/system32/cmd.exe exited; CPU time 2.640625
12:51:38 (4704): app exit status: 0x16
12:51:38 (4704): 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: 337379 bytes.
Dumping objects ->
{3835173} normal block at 0x0000026B0E1202C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835162} normal block at 0x0000026B0E120870, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835151} normal block at 0x0000026B0E120800, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835140} normal block at 0x0000026B0E120720, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835129} normal block at 0x0000026B0E1205D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835098} normal block at 0x0000026B0FC1A290, 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) : {3835084} normal block at 0x0000026B0E1154B0, 8 bytes long.
Data: < k > 00 00 05 0E 6B 02 00 00
{3833943} normal block at 0x0000026B0E114A60, 8 bytes long.
Data: < d k > 90 64 14 0E 6B 02 00 00
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x0000026B0E11F440, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000026B0E104BC0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{287} normal block at 0x0000026B0E121180, 16 bytes long.
Data: <H! k > 48 21 12 0E 6B 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000026B0E1215E0, 16 bytes long.
Data: < ! k > 20 21 12 0E 6B 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000026B0E11A450, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{284} normal block at 0x0000026B0E121270, 16 bytes long.
Data: <ø k > F8 20 12 0E 6B 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000026B0E120E60, 16 bytes long.
Data: <Ð k > D0 20 12 0E 6B 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000026B0E1214A0, 16 bytes long.
Data: <¨ k > A8 20 12 0E 6B 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000026B0E121D60, 16 bytes long.
Data: < k > 80 20 12 0E 6B 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000026B0E120790, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{279} normal block at 0x0000026B0E121450, 16 bytes long.
Data: <XK k > 58 4B 10 0E 6B 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000026B0E11A0F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{277} normal block at 0x0000026B0E121090, 16 bytes long.
Data: <0K k > 30 4B 10 0E 6B 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000026B0E1219F0, 16 bytes long.
Data: < K k > 08 4B 10 0E 6B 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000026B0E121860, 16 bytes long.
Data: <àJ k > E0 4A 10 0E 6B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026B0E121950, 16 bytes long.
Data: <¸J k > B8 4A 10 0E 6B 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000026B0E1219A0, 16 bytes long.
Data: < J k > 90 4A 10 0E 6B 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000026B0E121CC0, 16 bytes long.
Data: <hJ k > 68 4A 10 0E 6B 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000026B0E11A750, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{269} normal block at 0x0000026B0E121810, 16 bytes long.
Data: <@J k > 40 4A 10 0E 6B 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000026B0E104A40, 320 bytes long.
Data: < k P§ k > 10 18 12 0E 6B 02 00 00 50 A7 11 0E 6B 02 00 00
{267} normal block at 0x0000026B0E121590, 16 bytes long.
Data: <` k > 60 20 12 0E 6B 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000026B0E1211D0, 16 bytes long.
Data: <8 k > 38 20 12 0E 6B 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000026B0E11A5D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{264} normal block at 0x0000026B0E121D10, 16 bytes long.
Data: < k > 10 20 12 0E 6B 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000026B0E11A270, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{262} normal block at 0x0000026B0E1210E0, 16 bytes long.
Data: <X k > 58 1F 12 0E 6B 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000026B0E121BD0, 16 bytes long.
Data: <0 k > 30 1F 12 0E 6B 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000026B0E121B80, 16 bytes long.
Data: < k > 08 1F 12 0E 6B 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000026B0E121310, 16 bytes long.
Data: <à k > E0 1E 12 0E 6B 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000026B0E120FF0, 16 bytes long.
Data: <¸ k > B8 1E 12 0E 6B 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000026B0E120FA0, 16 bytes long.
Data: < k > 90 1E 12 0E 6B 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000026B0E121C70, 16 bytes long.
Data: <@ k > 40 06 12 0E 6B 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000026B0E120640, 40 bytes long.
Data: <p k ¢Á k > 70 1C 12 0E 6B 02 00 00 90 A2 C1 0F 6B 02 00 00
{253} normal block at 0x0000026B0E1212C0, 16 bytes long.
Data: <p k > 70 1E 12 0E 6B 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000026B0E121900, 16 bytes long.
Data: <H k > 48 1E 12 0E 6B 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x0000026B0E11A1B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{250} normal block at 0x0000026B0E121C20, 16 bytes long.
Data: < k > 20 1E 12 0E 6B 02 00 00 00 00 00 00 00 00 00 00
{249} normal block at 0x0000026B0E121E20, 992 bytes long.
Data: < k °¡ k > 20 1C 12 0E 6B 02 00 00 B0 A1 11 0E 6B 02 00 00
{85} normal block at 0x0000026B0E11A810, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{84} normal block at 0x0000026B0E115140, 16 bytes long.
Data: < k > 10 04 12 0E 6B 02 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x0000026B0E120410, 40 bytes long.
Data: <@Q k ¨ k > 40 51 11 0E 6B 02 00 00 10 A8 11 0E 6B 02 00 00
{62} normal block at 0x0000026B0E1152D0, 16 bytes long.
Data: < ê ð÷ > 80 EA 10 F0 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000026B0E1150A0, 16 bytes long.
Data: <@é ð÷ > 40 E9 10 F0 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000026B0E115690, 16 bytes long.
Data: <øW ð÷ > F8 57 0D F0 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000026B0E114920, 16 bytes long.
Data: <ØW ð÷ > D8 57 0D F0 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000026B0E1155F0, 16 bytes long.
Data: <P ð÷ > 50 04 0D F0 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000026B0E114F60, 16 bytes long.
Data: <0 ð÷ > 30 04 0D F0 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000026B0E114FB0, 16 bytes long.
Data: <à ð÷ > E0 02 0D F0 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000026B0E114970, 16 bytes long.
Data: < ð÷ > 10 04 0D F0 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000026B0E1156E0, 16 bytes long.
Data: <p ð÷ > 70 04 0D F0 F7 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x0000026B0E1148D0, 16 bytes long.
Data: < À ð÷ > 18 C0 0B F0 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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