Task 38598646

Name BACE_A32_A03_r0_4-QUICO_ATM_GAFF2_NAGL_BACE-1-6-RND8906_0
Workunit 31553749
Created 8 Apr 2026, 10:52:31 UTC
Sent 8 Apr 2026, 10:52:40 UTC
Report deadline 13 Apr 2026, 10:52:40 UTC
Received 8 Apr 2026, 11:40:25 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 643453
Run time 9 min 54 sec
CPU time 5 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 6,881.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 53.52 MB
Peak swap size 41.26 MB
Peak disk usage 2.82 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>
05:54:36 (21152): wrapper (7.9.26016): starting
05:54:36 (21152): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A32_A03_0.pdb
QB_A32_A03_0.xml
QB_A32_A03.inpcrd
QB_A32_A03_input.yaml
QB_A32_A03.pdb
QB_A32_A03.prmtop
QB_A32_A03_sys.xml
run.bat
run.sh
05:54:37 (21152): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:54:37 (21152): 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 'ConnectTimeoutError(<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000026DD67AFA50>, 'Connection to pypi.org timed out. (connect timeout=15)')': /simple/pyaml/
WARNING: Retrying (Retry(total=3, connect=None, read=None, redirect=None, status=None)) after connection broken by 'ConnectTimeoutError(<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000026DD67C0410>, 'Connection to pypi.org timed out. (connect timeout=15)')': /simple/pyaml/
WARNING: Retrying (Retry(total=2, connect=None, read=None, redirect=None, status=None)) after connection broken by 'ConnectTimeoutError(<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000026DD67C0D50>, 'Connection to pypi.org timed out. (connect timeout=15)')': /simple/pyaml/
WARNING: Retrying (Retry(total=1, connect=None, read=None, redirect=None, status=None)) after connection broken by 'ConnectTimeoutError(<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000026DD67C1650>, 'Connection to pypi.org timed out. (connect timeout=15)')': /simple/pyaml/
WARNING: Retrying (Retry(total=0, connect=None, read=None, redirect=None, status=None)) after connection broken by 'ConnectTimeoutError(<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000026DD67C1F50>, 'Connection to pypi.org timed out. (connect timeout=15)')': /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 'ConnectTimeoutError(<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000016E92F98F50>, 'Connection to pypi.org timed out. (connect timeout=15)')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=3, connect=None, read=None, redirect=None, status=None)) after connection broken by 'ConnectTimeoutError(<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000016E92F99D10>, 'Connection to pypi.org timed out. (connect timeout=15)')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=2, connect=None, read=None, redirect=None, status=None)) after connection broken by 'ConnectTimeoutError(<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000016E92F9A910>, 'Connection to pypi.org timed out. (connect timeout=15)')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=1, connect=None, read=None, redirect=None, status=None)) after connection broken by 'ConnectTimeoutError(<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000016E92F9B5D0>, 'Connection to pypi.org timed out. (connect timeout=15)')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=0, connect=None, read=None, redirect=None, status=None)) after connection broken by 'ConnectTimeoutError(<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000016E92FB4250>, 'Connection to pypi.org timed out. (connect timeout=15)')': /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\\5\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
06:38:26 (21152): C:/Windows/system32/cmd.exe exited; CPU time 5.250000
06:38:26 (21152): app exit status: 0x16
06:38:26 (21152): 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: 29129755 bytes.
Dumping objects ->
{3835250} normal block at 0x000001B68E5F5630, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x000001B68E5F4B40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x000001B68E5F4F30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835217} normal block at 0x000001B68E5F5160, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x000001B68E5F5780, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835175} normal block at 0x000001B69009BFD0, 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) : {3835162} normal block at 0x000001B68E5CE770, 8 bytes long.
 Data: <  &#251; &#182;   > 00 00 FB 8F B6 01 00 00 
{3833947} normal block at 0x000001B68E5CE590, 8 bytes long.
 Data: < &#184;a&#142;&#182;   > 80 B8 61 8E B6 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001B68E5D0170, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B68E5BAF30, 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 0x000001B68E5C6280, 16 bytes long.
 Data: < (]&#142;&#182;           > 98 28 5D 8E B6 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B68E5C6190, 16 bytes long.
 Data: <p(]&#142;&#182;           > 70 28 5D 8E B6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B68E5CC810, 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 0x000001B68E5C6140, 16 bytes long.
 Data: <H(]&#142;&#182;           > 48 28 5D 8E B6 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B68E5C60F0, 16 bytes long.
 Data: < (]&#142;&#182;           > 20 28 5D 8E B6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B68E5C6050, 16 bytes long.
 Data: <&#248;']&#142;&#182;           > F8 27 5D 8E B6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B68E5C5C40, 16 bytes long.
 Data: <&#208;']&#142;&#182;           > D0 27 5D 8E B6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B68E5CB060, 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 0x000001B68E5C6640, 16 bytes long.
 Data: < &#187;[&#142;&#182;           > 18 BB 5B 8E B6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B68E5CC4B0, 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 0x000001B68E5C6000, 16 bytes long.
 Data: <&#240;&#186;[&#142;&#182;           > F0 BA 5B 8E B6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B68E5C6B90, 16 bytes long.
 Data: <&#200;&#186;[&#142;&#182;           > C8 BA 5B 8E B6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B68E5C5F10, 16 bytes long.
 Data: <&#160;&#186;[&#142;&#182;           > A0 BA 5B 8E B6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B68E5C65F0, 16 bytes long.
 Data: <x&#186;[&#142;&#182;           > 78 BA 5B 8E B6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B68E5CE2C0, 16 bytes long.
 Data: <P&#186;[&#142;&#182;           > 50 BA 5B 8E B6 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B68E5CE270, 16 bytes long.
 Data: <(&#186;[&#142;&#182;           > 28 BA 5B 8E B6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B68E5CCDB0, 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 0x000001B68E5CE220, 16 bytes long.
 Data: < &#186;[&#142;&#182;           > 00 BA 5B 8E B6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B68E5BBA00, 320 bytes long.
 Data: < &#226;\&#142;&#182;   &#176;&#205;\&#142;&#182;   > 20 E2 5C 8E B6 01 00 00 B0 CD 5C 8E B6 01 00 00 
{269} normal block at 0x000001B68E5CE1D0, 16 bytes long.
 Data: <&#176;']&#142;&#182;           > B0 27 5D 8E B6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B68E5CE180, 16 bytes long.
 Data: < ']&#142;&#182;           > 88 27 5D 8E B6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B68E5CCBD0, 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 0x000001B68E5CE130, 16 bytes long.
 Data: <`']&#142;&#182;           > 60 27 5D 8E B6 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B68E5CC8D0, 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 0x000001B68E5CE4A0, 16 bytes long.
 Data: <&#168;&]&#142;&#182;           > A8 26 5D 8E B6 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B68E5CE810, 16 bytes long.
 Data: < &]&#142;&#182;           > 80 26 5D 8E B6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B68E5CE450, 16 bytes long.
 Data: <X&]&#142;&#182;           > 58 26 5D 8E B6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B68E5CE7C0, 16 bytes long.
 Data: <0&]&#142;&#182;           > 30 26 5D 8E B6 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B68E5CE540, 16 bytes long.
 Data: < &]&#142;&#182;           > 08 26 5D 8E B6 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B68E5CE400, 16 bytes long.
 Data: <&#224;%]&#142;&#182;           > E0 25 5D 8E B6 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001B68E5CE3B0, 16 bytes long.
 Data: <&#224;&#172;\&#142;&#182;           > E0 AC 5C 8E B6 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001B68E5CACE0, 40 bytes long.
 Data: <&#176;&#227;\&#142;&#182;   &#208;&#191;	 &#182;   > B0 E3 5C 8E B6 01 00 00 D0 BF 09 90 B6 01 00 00 
{255} normal block at 0x000001B68E5CE720, 16 bytes long.
 Data: <&#192;%]&#142;&#182;           > C0 25 5D 8E B6 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001B68E5CE4F0, 16 bytes long.
 Data: < %]&#142;&#182;           > 98 25 5D 8E B6 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001B68E5CC5D0, 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 0x000001B68E5CE360, 16 bytes long.
 Data: <p%]&#142;&#182;           > 70 25 5D 8E B6 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001B68E5D2570, 992 bytes long.
 Data: <`&#227;\&#142;&#182;   &#208;&#197;\&#142;&#182;   > 60 E3 5C 8E B6 01 00 00 D0 C5 5C 8E B6 01 00 00 
{87} normal block at 0x000001B68E5CCC90, 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 0x000001B68E5C6370, 16 bytes long.
 Data: <p&#172;\&#142;&#182;           > 70 AC 5C 8E B6 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001B68E5CAC70, 40 bytes long.
 Data: <pc\&#142;&#182;    &#204;\&#142;&#182;   > 70 63 5C 8E B6 01 00 00 90 CC 5C 8E B6 01 00 00 
{64} normal block at 0x000001B68E5C5E70, 16 bytes long.
 Data: < &#234; &#215;&#247;           > 80 EA 1B D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B68E5C69B0, 16 bytes long.
 Data: <@&#233; &#215;&#247;           > 40 E9 1B D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B68E5C6410, 16 bytes long.
 Data: <&#248;W &#215;&#247;           > F8 57 18 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B68E5C5E20, 16 bytes long.
 Data: <&#216;W &#215;&#247;           > D8 57 18 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B68E5C6910, 16 bytes long.
 Data: <P  &#215;&#247;           > 50 04 18 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001B68E5C6820, 16 bytes long.
 Data: <0  &#215;&#247;           > 30 04 18 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001B68E5C68C0, 16 bytes long.
 Data: <&#224;  &#215;&#247;           > E0 02 18 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001B68E5C6500, 16 bytes long.
 Data: <   &#215;&#247;           > 10 04 18 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001B68E5C6780, 16 bytes long.
 Data: <p  &#215;&#247;           > 70 04 18 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001B68E5C5DD0, 16 bytes long.
 Data: < &#192; &#215;&#247;           > 18 C0 16 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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