Task 38626605

Name MCL1_RE_A29_A35_r0_3-QUICO_ATM_OpenFF23_NAGL_MCL1_RE-0-6-RND6374_0
Workunit 31576699
Created 24 Apr 2026, 9:21:08 UTC
Sent 24 Apr 2026, 9:23:25 UTC
Report deadline 29 Apr 2026, 9:23:25 UTC
Received 24 Apr 2026, 9:27:06 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 593958
Run time 1 min 45 sec
CPU time
Validate state Invalid
Credit 0.00
Device peak FLOPS 13,482.92 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 10.95 MB
Peak swap size 5.18 MB
Peak disk usage 1.42 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
K�ytt�j�rjestelm� ei voi suorittaa ohjelmaa (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
12:25:23 (24236): wrapper (7.9.26016): starting
12:25:23 (24236): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A29_A35_0.pdb
QB_A29_A35_0.xml
QB_A29_A35.inpcrd
QB_A29_A35_input.yaml
QB_A29_A35.pdb
QB_A29_A35.prmtop
QB_A29_A35_sys.xml
run.bat
run.sh
12:25:24 (24236): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:25:24 (24236): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
K&#132;ytt&#148; estetty.
K&#132;ytt&#148; estetty.
K&#132;ytt&#148; estetty.
M&#132;&#132;ritetty&#132; polkua ei l&#148;ydy.
12:25:25 (24236): C:/Windows/system32/cmd.exe exited; CPU time 0.000000
12:25:25 (24236): app exit status: 0x1
12:25:25 (24236): 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: 378701 bytes.
Dumping objects ->
{3835273} normal block at 0x000001D33E8F91A0, 48 bytes long.
 Data: <PATH=D:\System\B> 50 41 54 48 3D 44 3A 5C 53 79 73 74 65 6D 5C 42 
{3835262} normal block at 0x000001D33E8F9130, 48 bytes long.
 Data: <HOME=D:\System\B> 48 4F 4D 45 3D 44 3A 5C 53 79 73 74 65 6D 5C 42 
{3835251} normal block at 0x000001D33E8F9D70, 48 bytes long.
 Data: <TMP=D:\System\BO> 54 4D 50 3D 44 3A 5C 53 79 73 74 65 6D 5C 42 4F 
{3835240} normal block at 0x000001D33E8F9360, 48 bytes long.
 Data: <TEMP=D:\System\B> 54 45 4D 50 3D 44 3A 5C 53 79 73 74 65 6D 5C 42 
{3835229} normal block at 0x000001D33E8F96E0, 48 bytes long.
 Data: <TMPDIR=D:\System> 54 4D 50 44 49 52 3D 44 3A 5C 53 79 73 74 65 6D 
{3835198} normal block at 0x000001D34066B530, 64 bytes long.
 Data: <PATH=D:\System\B> 50 41 54 48 3D 44 3A 5C 53 79 73 74 65 6D 5C 42 
..\api\boinc_api.cpp(309) : {3835185} normal block at 0x000001D33E8CDB50, 8 bytes long.
 Data: <  &#224;>&#211;   > 00 00 E0 3E D3 01 00 00 
{3833965} normal block at 0x000001D33E8CD830, 8 bytes long.
 Data: < &#218;&#139;>&#211;   > 80 DA 8B 3E D3 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001D33E8C0FC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001D33E8C2240, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001D33E8D6720, 16 bytes long.
 Data: <ho >&#211;           > 68 6F 8D 3E D3 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001D33E8D5DC0, 16 bytes long.
 Data: <@o >&#211;           > 40 6F 8D 3E D3 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D33E8CFBB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001D33E8D69F0, 16 bytes long.
 Data: < o >&#211;           > 18 6F 8D 3E D3 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D33E8D66D0, 16 bytes long.
 Data: <&#240;n >&#211;           > F0 6E 8D 3E D3 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D33E8D5FF0, 16 bytes long.
 Data: <&#200;n >&#211;           > C8 6E 8D 3E D3 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D33E8D6AE0, 16 bytes long.
 Data: <&#160;n >&#211;           > A0 6E 8D 3E D3 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D33E8D1600, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001D33E8D5E60, 16 bytes long.
 Data: <   >&#211;           > 88 12 8D 3E D3 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D33E8CF850, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001D33E8D5FA0, 16 bytes long.
 Data: <`  >&#211;           > 60 12 8D 3E D3 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D33E8D5D70, 16 bytes long.
 Data: <8  >&#211;           > 38 12 8D 3E D3 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D33E8D5F50, 16 bytes long.
 Data: <   >&#211;           > 10 12 8D 3E D3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D33E8D5D20, 16 bytes long.
 Data: <&#232;  >&#211;           > E8 11 8D 3E D3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D33E8D67C0, 16 bytes long.
 Data: <&#192;  >&#211;           > C0 11 8D 3E D3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D33E8D6B80, 16 bytes long.
 Data: <   >&#211;           > 98 11 8D 3E D3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D33E8D04B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001D33E8D6180, 16 bytes long.
 Data: <p  >&#211;           > 70 11 8D 3E D3 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D33E8D1170, 320 bytes long.
 Data: < a >&#211;   &#176;  >&#211;   > 80 61 8D 3E D3 01 00 00 B0 04 8D 3E D3 01 00 00 
{278} normal block at 0x000001D33E8D64F0, 16 bytes long.
 Data: < n >&#211;           > 80 6E 8D 3E D3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D33E8D69A0, 16 bytes long.
 Data: <Xn >&#211;           > 58 6E 8D 3E D3 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D33E8CFCD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001D33E8D6540, 16 bytes long.
 Data: <0n >&#211;           > 30 6E 8D 3E D3 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D33E8CFE50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001D33E8D5C80, 16 bytes long.
 Data: <xm >&#211;           > 78 6D 8D 3E D3 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D33E8D60E0, 16 bytes long.
 Data: <Pm >&#211;           > 50 6D 8D 3E D3 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D33E8D6950, 16 bytes long.
 Data: <(m >&#211;           > 28 6D 8D 3E D3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D33E8D6680, 16 bytes long.
 Data: < m >&#211;           > 00 6D 8D 3E D3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D33E8D5CD0, 16 bytes long.
 Data: <&#216;l >&#211;           > D8 6C 8D 3E D3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D33E8D6310, 16 bytes long.
 Data: <&#176;l >&#211;           > B0 6C 8D 3E D3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D33E8D62C0, 16 bytes long.
 Data: <   >&#211;           > 00 1D 8D 3E D3 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D33E8D1D00, 40 bytes long.
 Data: <&#192;b >&#211;   0&#181;f@&#211;   > C0 62 8D 3E D3 01 00 00 30 B5 66 40 D3 01 00 00 
{264} normal block at 0x000001D33E8D6270, 16 bytes long.
 Data: < l >&#211;           > 90 6C 8D 3E D3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D33E8D63B0, 16 bytes long.
 Data: <hl >&#211;           > 68 6C 8D 3E D3 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D33E8CFC70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001D33E8D5F00, 16 bytes long.
 Data: <@l >&#211;           > 40 6C 8D 3E D3 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D33E8D6C40, 992 bytes long.
 Data: < _ >&#211;   p&#252;&#140;>&#211;   > 00 5F 8D 3E D3 01 00 00 70 FC 8C 3E D3 01 00 00 
{96} normal block at 0x000001D33E8CFC10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001D33E8CD6F0, 16 bytes long.
 Data: <0  >&#211;           > 30 18 8D 3E D3 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001D33E8D1830, 40 bytes long.
 Data: <&#240;&#214;&#140;>&#211;    &#252;&#140;>&#211;   > F0 D6 8C 3E D3 01 00 00 10 FC 8C 3E D3 01 00 00 
{73} normal block at 0x000001D33E8CD5B0, 16 bytes long.
 Data: < &#234;&#130;&#192;&#247;           > 80 EA 82 C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001D33E8CD740, 16 bytes long.
 Data: <@&#233;&#130;&#192;&#247;           > 40 E9 82 C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001D33E8CE0F0, 16 bytes long.
 Data: <&#248;W &#192;&#247;           > F8 57 7F C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D33E8CDD80, 16 bytes long.
 Data: <&#216;W &#192;&#247;           > D8 57 7F C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D33E8CD790, 16 bytes long.
 Data: <P  &#192;&#247;           > 50 04 7F C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D33E8CE190, 16 bytes long.
 Data: <0  &#192;&#247;           > 30 04 7F C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D33E8CDCE0, 16 bytes long.
 Data: <&#224;  &#192;&#247;           > E0 02 7F C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D33E8CE410, 16 bytes long.
 Data: <   &#192;&#247;           > 10 04 7F C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D33E8CD7E0, 16 bytes long.
 Data: <p  &#192;&#247;           > 70 04 7F C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D33E8CD600, 16 bytes long.
 Data: < &#192;}&#192;&#247;           > 18 C0 7D C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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