Task 38643134

Name shp2_A22_A13_r0_4-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND1086_0
Workunit 31589748
Created 7 May 2026, 10:47:46 UTC
Sent 7 May 2026, 10:48:04 UTC
Report deadline 12 May 2026, 10:48:04 UTC
Received 7 May 2026, 16:25:07 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 650754
Run time 1 min 9 sec
CPU time 1 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 9,336.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 50.03 MB
Peak swap size 38.70 MB
Peak disk usage 2.81 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>
16:48:30 (4124): wrapper (7.9.26016): starting
16:48:30 (4124): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A22_A13_0.pdb
QB_A22_A13_0.xml
QB_A22_A13.inpcrd
QB_A22_A13_input.yaml
QB_A22_A13.pdb
QB_A22_A13.prmtop
QB_A22_A13_sys.xml
run.bat
run.sh
16:48:32 (4124): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:48:32 (4124): 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 0x000001FFB772AD90>: 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 0x000001FFB7734A10>: 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 0x000001FFB7735310>: 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 0x000001FFB7735BD0>: 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 0x000001FFB7736510>: 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 0x000001C0FEB7CB90>: 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 0x000001C0FEB7E790>: 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 0x000001C0FEB7F050>: 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 0x000001C0FEB7FBD0>: 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 0x000001C0FEB90850>: 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:\\BOINCdata\\slots\\1\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
16:48:52 (4124): C:/Windows/system32/cmd.exe exited; CPU time 1.578125
16:48:52 (4124): app exit status: 0x16
16:48:52 (4124): called boinc_finish(195)
0 bytes in 0 Free Blocks.
536 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: 230815 bytes.
Dumping objects ->
{3835229} normal block at 0x0000023FA0965AB0, 48 bytes long.
 Data: <PATH=C:\BOINCdat> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835218} normal block at 0x0000023FA26632B0, 32 bytes long.
 Data: <HOME=C:\BOINCdat> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835207} normal block at 0x0000023FA26625F0, 32 bytes long.
 Data: <TMP=C:\BOINCdata> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 61 
{3835196} normal block at 0x0000023FA2663610, 32 bytes long.
 Data: <TEMP=C:\BOINCdat> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835185} normal block at 0x0000023FA2662710, 32 bytes long.
 Data: <TMPDIR=C:\BOINCd> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 64 
{3835154} normal block at 0x0000023FA0965CE0, 48 bytes long.
 Data: <PATH=C:\BOINCdat> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835143} normal block at 0x0000023FA25CC990, 180 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) : {3835140} normal block at 0x0000023FA0936EA0, 8 bytes long.
 Data: <   &#160;?   > 00 00 8F A0 3F 02 00 00 
{3834543} normal block at 0x0000023FA25CC120, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x0000023FA0936860, 8 bytes long.
 Data: <@&#235;Y&#162;?   > 40 EB 59 A2 3F 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000023FA093C160, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023FA092AE70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000023FA0942B20, 16 bytes long.
 Data: <(7&#148;&#160;?           > 28 37 94 A0 3F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023FA0942EE0, 16 bytes long.
 Data: < 7&#148;&#160;?           > 00 37 94 A0 3F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023FA093DDD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000023FA0942AD0, 16 bytes long.
 Data: <&#216;6&#148;&#160;?           > D8 36 94 A0 3F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023FA0943110, 16 bytes long.
 Data: <&#176;6&#148;&#160;?           > B0 36 94 A0 3F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023FA0942D00, 16 bytes long.
 Data: < 6&#148;&#160;?           > 88 36 94 A0 3F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023FA0942BC0, 16 bytes long.
 Data: <`6&#148;&#160;?           > 60 36 94 A0 3F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023FA093E7B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000023FA0942A30, 16 bytes long.
 Data: <H&#186;&#146;&#160;?           > 48 BA 92 A0 3F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023FA093D770, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000023FA0943020, 16 bytes long.
 Data: < &#186;&#146;&#160;?           > 20 BA 92 A0 3F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023FA0943250, 16 bytes long.
 Data: <&#248;&#185;&#146;&#160;?           > F8 B9 92 A0 3F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023FA09429E0, 16 bytes long.
 Data: <&#208;&#185;&#146;&#160;?           > D0 B9 92 A0 3F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023FA09430C0, 16 bytes long.
 Data: <&#168;&#185;&#146;&#160;?           > A8 B9 92 A0 3F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023FA09425D0, 16 bytes long.
 Data: < &#185;&#146;&#160;?           > 80 B9 92 A0 3F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023FA0943200, 16 bytes long.
 Data: <X&#185;&#146;&#160;?           > 58 B9 92 A0 3F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023FA093DE30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000023FA0943070, 16 bytes long.
 Data: <0&#185;&#146;&#160;?           > 30 B9 92 A0 3F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023FA092B930, 320 bytes long.
 Data: <p0&#148;&#160;?   0&#222;&#147;&#160;?   > 70 30 94 A0 3F 02 00 00 30 DE 93 A0 3F 02 00 00 
{269} normal block at 0x0000023FA0942530, 16 bytes long.
 Data: <@6&#148;&#160;?           > 40 36 94 A0 3F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023FA0942990, 16 bytes long.
 Data: < 6&#148;&#160;?           > 18 36 94 A0 3F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023FA093D8F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000023FA0942CB0, 16 bytes long.
 Data: <&#240;5&#148;&#160;?           > F0 35 94 A0 3F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023FA093D5F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000023FA0942D50, 16 bytes long.
 Data: <85&#148;&#160;?           > 38 35 94 A0 3F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023FA0942850, 16 bytes long.
 Data: < 5&#148;&#160;?           > 10 35 94 A0 3F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023FA0942C10, 16 bytes long.
 Data: <&#232;4&#148;&#160;?           > E8 34 94 A0 3F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023FA09424E0, 16 bytes long.
 Data: <&#192;4&#148;&#160;?           > C0 34 94 A0 3F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023FA0942440, 16 bytes long.
 Data: < 4&#148;&#160;?           > 98 34 94 A0 3F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023FA0943160, 16 bytes long.
 Data: <p4&#148;&#160;?           > 70 34 94 A0 3F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000023FA09428A0, 16 bytes long.
 Data: < &#229;&#147;&#160;?           > 80 E5 93 A0 3F 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000023FA093E580, 40 bytes long.
 Data: <&#160;(&#148;&#160;?   &#224;\&#150;&#160;?   > A0 28 94 A0 3F 02 00 00 E0 5C 96 A0 3F 02 00 00 
{255} normal block at 0x0000023FA0942A80, 16 bytes long.
 Data: <P4&#148;&#160;?           > 50 34 94 A0 3F 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000023FA0942E40, 16 bytes long.
 Data: <(4&#148;&#160;?           > 28 34 94 A0 3F 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000023FA093D530, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000023FA0942FD0, 16 bytes long.
 Data: < 4&#148;&#160;?           > 00 34 94 A0 3F 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000023FA0943400, 992 bytes long.
 Data: <&#208;/&#148;&#160;?   0&#213;&#147;&#160;?   > D0 2F 94 A0 3F 02 00 00 30 D5 93 A0 3F 02 00 00 
{87} normal block at 0x0000023FA093D4D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000023FA0936BD0, 16 bytes long.
 Data: <&#192;&#227;&#147;&#160;?           > C0 E3 93 A0 3F 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000023FA093E3C0, 40 bytes long.
 Data: <&#208;k&#147;&#160;?   &#208;&#212;&#147;&#160;?   > D0 6B 93 A0 3F 02 00 00 D0 D4 93 A0 3F 02 00 00 
{64} normal block at 0x0000023FA0936810, 16 bytes long.
 Data: < &#234;l&#212;&#246;           > 80 EA 6C D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023FA09371C0, 16 bytes long.
 Data: <@&#233;l&#212;&#246;           > 40 E9 6C D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023FA0936AE0, 16 bytes long.
 Data: <&#248;Wi&#212;&#246;           > F8 57 69 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023FA09367C0, 16 bytes long.
 Data: <&#216;Wi&#212;&#246;           > D8 57 69 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000023FA0936E50, 16 bytes long.
 Data: <P i&#212;&#246;           > 50 04 69 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000023FA0936590, 16 bytes long.
 Data: <0 i&#212;&#246;           > 30 04 69 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000023FA0936680, 16 bytes long.
 Data: <&#224; i&#212;&#246;           > E0 02 69 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000023FA0936450, 16 bytes long.
 Data: <  i&#212;&#246;           > 10 04 69 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000023FA0936950, 16 bytes long.
 Data: <p i&#212;&#246;           > 70 04 69 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000023FA09369A0, 16 bytes long.
 Data: < &#192;g&#212;&#246;           > 18 C0 67 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra