Task 38581899

Name	JNK1_A01_A04_r3_1-QUICO_ATM_GAFF2_LOMAP_JNK1_2-0-5-RND2016_4
Workunit	31545129
Created	12 Dec 2025, 17:05:35 UTC
Sent	12 Dec 2025, 17:05:43 UTC
Report deadline	17 Dec 2025, 17:05:43 UTC
Received	16 Dec 2025, 16:51:25 UTC
Server state	Over
Outcome	Computation error
Client state	Upload failed
Exit status	-187 (0xFFFFFF45) ERR_RESULT_UPLOAD
Computer ID	621414
Run time	2 days 17 hours 48 min 41 sec
CPU time	1 days 5 hours 39 min 43 sec
Validate state	Invalid
Credit	0.00
Device peak FLOPS	5,159.61 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	674.29 MB
Peak swap size	2.98 GB
Peak disk usage	3.55 GB
Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
22:27:09 (12924): wrapper (7.9.26016): starting
22:27:09 (12924): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A01_A04_0.pdb
QB_A01_A04_0.xml
QB_A01_A04_equil.pdb
QB_A01_A04.inpcrd
QB_A01_A04_input.yaml
QB_A01_A04_mdlambda.pdb
QB_A01_A04_min.pdb
QB_A01_A04_npt.pdb
QB_A01_A04.pdb
QB_A01_A04.prmtop
QB_A01_A04_sys.xml
QB_A01_A04_therm.pdb
run.bat
run.sh
22:27:12 (12924): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:27:12 (12924): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\6\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\6\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
13:53:20 (13300): wrapper (7.9.26016): starting
13:53:20 (13300): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ya existe el subdirectorio o el archivo C:\ProgramData\BOINC\slots\6\tmp.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
16:17:52 (13300): C:/Windows/system32/cmd.exe exited; CPU time 42982.328125
16:17:52 (13300): called boinc_finish(0)
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: 1250300990 bytes.
Dumping objects ->
{1538} normal block at 0x00000225385B19F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1527} normal block at 0x00000225385B1D70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1516} normal block at 0x00000225385B1C20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1505} normal block at 0x00000225385B1C90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1494} normal block at 0x00000225385B1D00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1463} normal block at 0x00000225385B64D0, 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) : {1450} normal block at 0x00000225385B72A0, 8 bytes long.
 Data: <  W8%   > 00 00 57 38 25 02 00 00 
{299} normal block at 0x00000225385B6990, 8 bytes long.
 Data: < _[8%   > C0 5F 5B 38 25 02 00 00 
{290} normal block at 0x00000225385A1110, 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 0x00000225385B6B20, 16 bytes long.
 Data: < y[8%           > 08 79 5B 38 25 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000225385B67B0, 16 bytes long.
 Data: < x[8%           > E0 78 5B 38 25 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000225385B2410, 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 0x00000225385B7480, 16 bytes long.
 Data: < x[8%           > B8 78 5B 38 25 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000225385B7160, 16 bytes long.
 Data: < x[8%           > 90 78 5B 38 25 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000225385B7250, 16 bytes long.
 Data: <hx[8%           > 68 78 5B 38 25 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000225385B7200, 16 bytes long.
 Data: <@x[8%           > 40 78 5B 38 25 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000225385B1B40, 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 0x00000225385B6E40, 16 bytes long.
 Data: <8 Z8%           > 38 0E 5A 38 25 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000225385B21D0, 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 0x00000225385B7110, 16 bytes long.
 Data: <  Z8%           > 10 0E 5A 38 25 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000225385B7020, 16 bytes long.
 Data: <  Z8%           > E8 0D 5A 38 25 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000225385B6620, 16 bytes long.
 Data: <  Z8%           > C0 0D 5A 38 25 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000225385B7390, 16 bytes long.
 Data: <  Z8%           > 98 0D 5A 38 25 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000225385B6E90, 16 bytes long.
 Data: <p Z8%           > 70 0D 5A 38 25 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000225385B71B0, 16 bytes long.
 Data: <H Z8%           > 48 0D 5A 38 25 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000225385B2D70, 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 0x00000225385B6710, 16 bytes long.
 Data: <  Z8%           > 20 0D 5A 38 25 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000225385A0D20, 320 bytes long.
 Data: < g[8%   p-[8%   > 10 67 5B 38 25 02 00 00 70 2D 5B 38 25 02 00 00 
{269} normal block at 0x00000225385B6940, 16 bytes long.
 Data: < x[8%           > 20 78 5B 38 25 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000225385B7340, 16 bytes long.
 Data: < w[8%           > F8 77 5B 38 25 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000225385B2170, 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 0x00000225385B7570, 16 bytes long.
 Data: < w[8%           > D0 77 5B 38 25 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000225385B2EF0, 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 0x00000225385B68A0, 16 bytes long.
 Data: < w[8%           > 18 77 5B 38 25 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000225385B6FD0, 16 bytes long.
 Data: < v[8%           > F0 76 5B 38 25 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000225385B73E0, 16 bytes long.
 Data: < v[8%           > C8 76 5B 38 25 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000225385B70C0, 16 bytes long.
 Data: < v[8%           > A0 76 5B 38 25 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000225385B72F0, 16 bytes long.
 Data: <xv[8%           > 78 76 5B 38 25 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000225385B6F30, 16 bytes long.
 Data: <Pv[8%           > 50 76 5B 38 25 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000225385B6F80, 16 bytes long.
 Data: <` [8%           > 60 1A 5B 38 25 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000225385B1A60, 40 bytes long.
 Data: < o[8%    d[8%   > 80 6F 5B 38 25 02 00 00 D0 64 5B 38 25 02 00 00 
{255} normal block at 0x00000225385B68F0, 16 bytes long.
 Data: <0v[8%           > 30 76 5B 38 25 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000225385B6C10, 16 bytes long.
 Data: < v[8%           > 08 76 5B 38 25 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000225385B2110, 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 0x00000225385B6A80, 16 bytes long.
 Data: < u[8%           > E0 75 5B 38 25 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000225385B75E0, 992 bytes long.
 Data: < j[8%    ![8%   > 80 6A 5B 38 25 02 00 00 10 21 5B 38 25 02 00 00 
{87} normal block at 0x00000225385B22F0, 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 0x00000225385AC390, 16 bytes long.
 Data: <  [8%           > 80 19 5B 38 25 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x00000225385B1980, 40 bytes long.
 Data: <  Z8%    "[8%   > 90 C3 5A 38 25 02 00 00 F0 22 5B 38 25 02 00 00 
{64} normal block at 0x00000225385AC340, 16 bytes long.
 Data: <  K             > 80 EA 4B A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000225385AC3E0, 16 bytes long.
 Data: <@ K             > 40 E9 4B A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000225385AC2F0, 16 bytes long.
 Data: < WH             > F8 57 48 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000225385AB710, 16 bytes long.
 Data: < WH             > D8 57 48 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000225385ABDF0, 16 bytes long.
 Data: <P H             > 50 04 48 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000225385AC250, 16 bytes long.
 Data: <0 H             > 30 04 48 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000225385ABFD0, 16 bytes long.
 Data: <  H             > E0 02 48 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000225385AC1B0, 16 bytes long.
 Data: <  H             > 10 04 48 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000225385ABDA0, 16 bytes long.
 Data: <p H             > 70 04 48 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000225385ABF80, 16 bytes long.
 Data: <  F             > 18 C0 46 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
<message>
upload failure: <file_xfer_error>
  <file_name>JNK1_A01_A04_r3_1-QUICO_ATM_GAFF2_LOMAP_JNK1_2-0-5-RND2016_4_r1692069390_1</file_name>
  <error_code>-197 (result aborted via GUI)</error_code>
  <error_message>user requested transfer abort</error_message>
</file_xfer_error>
</message>
<upload_error>
    <file_name>JNK1_A01_A04_r3_1-QUICO_ATM_GAFF2_LOMAP_JNK1_2-0-5-RND2016_4_r1692069390_1</file_name>
    <error_code>-197</error_code>
</upload_error>
]]>