Task 38583783

Name JNK1_A31_A38_r4_1-QUICO_ATM_GAFF2_LOMAP_JNK1_3-4-5-RND1925_0
Workunit 31547824
Created 14 Dec 2025, 16:47:20 UTC
Sent 14 Dec 2025, 16:47:25 UTC
Report deadline 19 Dec 2025, 16:47:25 UTC
Received 14 Dec 2025, 16:52:35 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 628655
Run time 1 min 25 sec
CPU time 2 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 7,400.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 52.22 MB
Peak swap size 37.62 MB
Peak disk usage 1.58 GB

Stderr output

<core_client_version>7.16.20</core_client_version>
<![CDATA[
<message>
(unknown error) - exit code 195 (0xc3)</message>
<stderr_txt>
20:49:24 (14864): wrapper (7.9.26016): starting
20:49:24 (14864): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A31_A38_0.pdb
QB_A31_A38_0.xml
QB_A31_A38_equil.pdb
QB_A31_A38.inpcrd
QB_A31_A38_input.yaml
QB_A31_A38_mdlambda.pdb
QB_A31_A38_min.pdb
QB_A31_A38_npt.pdb
QB_A31_A38_out_merged_nowater.pdb
QB_A31_A38.pdb
QB_A31_A38.prmtop
QB_A31_A38_sys.xml
QB_A31_A38_therm.pdb
run.bat
run.sh
20:49:26 (14864): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:49:26 (14864): 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 0x0000019E5F2B3D50>: Failed to establish a new connection: [WinError 10013] An attempt was made to access a socket in a way forbidden by its access permissions')': /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 0x0000019E5F2B8890>: Failed to establish a new connection: [WinError 10013] An attempt was made to access a socket in a way forbidden by its access permissions')': /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 0x0000019E5F2B9250>: Failed to establish a new connection: [WinError 10013] An attempt was made to access a socket in a way forbidden by its access permissions')': /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 0x0000019E5F2B9AD0>: Failed to establish a new connection: [WinError 10013] An attempt was made to access a socket in a way forbidden by its access permissions')': /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 0x0000019E5F2BA390>: Failed to establish a new connection: [WinError 10013] An attempt was made to access a socket in a way forbidden by its access permissions')': /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 0x000001388D097810>: Failed to establish a new connection: [WinError 10013] An attempt was made to access a socket in a way forbidden by its access permissions')': /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 0x000001388D1DE010>: Failed to establish a new connection: [WinError 10013] An attempt was made to access a socket in a way forbidden by its access permissions')': /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 0x000001388D1DEC10>: Failed to establish a new connection: [WinError 10013] An attempt was made to access a socket in a way forbidden by its access permissions')': /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 0x000001388D1DF890>: Failed to establish a new connection: [WinError 10013] An attempt was made to access a socket in a way forbidden by its access permissions')': /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 0x000001388D1EC190>: Failed to establish a new connection: [WinError 10013] An attempt was made to access a socket in a way forbidden by its access permissions')': /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 'K:\\1Crunch\\BOINC\\slots\\29\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
20:49:56 (14864): C:/Windows/system32/cmd.exe exited; CPU time 2.156250
20:49:56 (14864): app exit status: 0x16
20:49:56 (14864): called boinc_finish(195)
0 bytes in 0 Free Blocks.
396 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: 606135 bytes.
Dumping objects ->
{3835671} normal block at 0x000001B1D74C20A0, 48 bytes long.
 Data: <PATH=K:\1Crunch\> 50 41 54 48 3D 4B 3A 5C 31 43 72 75 6E 63 68 5C 
{3835660} normal block at 0x000001B1D7585230, 32 bytes long.
 Data: <HOME=K:\1Crunch\> 48 4F 4D 45 3D 4B 3A 5C 31 43 72 75 6E 63 68 5C 
{3835649} normal block at 0x000001B1D7584B70, 32 bytes long.
 Data: <TMP=K:\1Crunch\B> 54 4D 50 3D 4B 3A 5C 31 43 72 75 6E 63 68 5C 42 
{3835638} normal block at 0x000001B1D7585A70, 32 bytes long.
 Data: <TEMP=K:\1Crunch\> 54 45 4D 50 3D 4B 3A 5C 31 43 72 75 6E 63 68 5C 
{3835627} normal block at 0x000001B1D5730640, 48 bytes long.
 Data: <TMPDIR=K:\1Crunc> 54 4D 50 44 49 52 3D 4B 3A 5C 31 43 72 75 6E 63 
{3835596} normal block at 0x000001B1D5730720, 48 bytes long.
 Data: <PATH=K:\1Crunch\> 50 41 54 48 3D 4B 3A 5C 31 43 72 75 6E 63 68 5C 
{3835585} normal block at 0x000001B1D754DD10, 102 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) : {3835582} normal block at 0x000001B1D572D3A0, 8 bytes long.
 Data: <  o&#213;&#177;   > 00 00 6F D5 B1 01 00 00 
{3834744} normal block at 0x000001B1D754E550, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001B1D572DFD0, 8 bytes long.
 Data: < &#214;q&#213;&#177;   > 90 D6 71 D5 B1 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001B1D5720820, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001B1D5721DD0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001B1D5736140, 16 bytes long.
 Data: <Xgs&#213;&#177;           > 58 67 73 D5 B1 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B1D57360F0, 16 bytes long.
 Data: <0gs&#213;&#177;           > 30 67 73 D5 B1 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B1D57313C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001B1D5735880, 16 bytes long.
 Data: < gs&#213;&#177;           > 08 67 73 D5 B1 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B1D57357E0, 16 bytes long.
 Data: <&#224;fs&#213;&#177;           > E0 66 73 D5 B1 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B1D5735C90, 16 bytes long.
 Data: <&#184;fs&#213;&#177;           > B8 66 73 D5 B1 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B1D5736050, 16 bytes long.
 Data: < fs&#213;&#177;           > 90 66 73 D5 B1 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B1D5730800, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001B1D5735560, 16 bytes long.
 Data: <H&#180;q&#213;&#177;           > 48 B4 71 D5 B1 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B1D5731300, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001B1D57360A0, 16 bytes long.
 Data: < &#180;q&#213;&#177;           > 20 B4 71 D5 B1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B1D5736190, 16 bytes long.
 Data: <&#248;&#179;q&#213;&#177;           > F8 B3 71 D5 B1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B1D5735C40, 16 bytes long.
 Data: <&#208;&#179;q&#213;&#177;           > D0 B3 71 D5 B1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B1D5735F60, 16 bytes long.
 Data: <&#168;&#179;q&#213;&#177;           > A8 B3 71 D5 B1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B1D5735F10, 16 bytes long.
 Data: < &#179;q&#213;&#177;           > 80 B3 71 D5 B1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B1D5736230, 16 bytes long.
 Data: <X&#179;q&#213;&#177;           > 58 B3 71 D5 B1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B1D5730B20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001B1D5735600, 16 bytes long.
 Data: <0&#179;q&#213;&#177;           > 30 B3 71 D5 B1 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B1D571B330, 320 bytes long.
 Data: < Vs&#213;&#177;     s&#213;&#177;   > 00 56 73 D5 B1 01 00 00 20 0B 73 D5 B1 01 00 00 
{276} normal block at 0x000001B1D5735B00, 16 bytes long.
 Data: <pfs&#213;&#177;           > 70 66 73 D5 B1 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B1D5735D80, 16 bytes long.
 Data: <Hfs&#213;&#177;           > 48 66 73 D5 B1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B1D57311E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001B1D5735FB0, 16 bytes long.
 Data: < fs&#213;&#177;           > 20 66 73 D5 B1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B1D57315A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001B1D5735790, 16 bytes long.
 Data: <hes&#213;&#177;           > 68 65 73 D5 B1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B1D5735740, 16 bytes long.
 Data: <@es&#213;&#177;           > 40 65 73 D5 B1 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B1D5735AB0, 16 bytes long.
 Data: < es&#213;&#177;           > 18 65 73 D5 B1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B1D5735B50, 16 bytes long.
 Data: <&#240;ds&#213;&#177;           > F0 64 73 D5 B1 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B1D57356A0, 16 bytes long.
 Data: <&#200;ds&#213;&#177;           > C8 64 73 D5 B1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B1D5735A60, 16 bytes long.
 Data: <&#160;ds&#213;&#177;           > A0 64 73 D5 B1 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B1D5735970, 16 bytes long.
 Data: <0 s&#213;&#177;           > 30 03 73 D5 B1 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B1D5730330, 40 bytes long.
 Data: <pYs&#213;&#177;     s&#213;&#177;   > 70 59 73 D5 B1 01 00 00 20 07 73 D5 B1 01 00 00 
{262} normal block at 0x000001B1D5735510, 16 bytes long.
 Data: < ds&#213;&#177;           > 80 64 73 D5 B1 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B1D57361E0, 16 bytes long.
 Data: <Xds&#213;&#177;           > 58 64 73 D5 B1 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B1D5730B80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001B1D5736320, 16 bytes long.
 Data: <0ds&#213;&#177;           > 30 64 73 D5 B1 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B1D5736430, 992 bytes long.
 Data: < cs&#213;&#177;     s&#213;&#177;   > 20 63 73 D5 B1 01 00 00 80 0B 73 D5 B1 01 00 00 
{94} normal block at 0x000001B1D57312A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001B1D572DAD0, 16 bytes long.
 Data: <&#192; s&#213;&#177;           > C0 02 73 D5 B1 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001B1D57302C0, 40 bytes long.
 Data: <&#208;&#218;r&#213;&#177;   &#160; s&#213;&#177;   > D0 DA 72 D5 B1 01 00 00 A0 12 73 D5 B1 01 00 00 
{71} normal block at 0x000001B1D572DF80, 16 bytes long.
 Data: < &#234; &#140;&#247;           > 80 EA 98 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B1D572DA80, 16 bytes long.
 Data: <@&#233; &#140;&#247;           > 40 E9 98 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B1D572DCB0, 16 bytes long.
 Data: <&#248;W&#149;&#140;&#247;           > F8 57 95 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B1D572D5D0, 16 bytes long.
 Data: <&#216;W&#149;&#140;&#247;           > D8 57 95 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B1D572D210, 16 bytes long.
 Data: <P &#149;&#140;&#247;           > 50 04 95 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B1D572D850, 16 bytes long.
 Data: <0 &#149;&#140;&#247;           > 30 04 95 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B1D572DA30, 16 bytes long.
 Data: <&#224; &#149;&#140;&#247;           > E0 02 95 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B1D572DF30, 16 bytes long.
 Data: <  &#149;&#140;&#247;           > 10 04 95 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B1D572D440, 16 bytes long.
 Data: <p &#149;&#140;&#247;           > 70 04 95 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B1D572D0D0, 16 bytes long.
 Data: < &#192;&#147;&#140;&#247;           > 18 C0 93 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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