Task 38600046
| Name | TYK2_A06_A01_r0_2-QUICO_ATM_GAFF2_NAGL_TYK2-4-5-RND0821_1 |
| Workunit | 31554803 |
| Created | 8 Apr 2026, 23:30:47 UTC |
| Sent | 8 Apr 2026, 23:30:50 UTC |
| Report deadline | 13 Apr 2026, 23:30:50 UTC |
| Received | 9 Apr 2026, 3:23:41 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 646261 |
| Run time | 3 hours 42 min 46 sec |
| CPU time | 3 hours 42 min 46 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 39,054.20 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 708.13 MB |
| Peak swap size | 13.04 GB |
| Peak disk usage | 3.06 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
01:34:30 (83608): wrapper (7.9.26016): starting
01:34:30 (83608): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A06_A01_0.pdb
QB_A06_A01_0.xml
QB_A06_A01.inpcrd
QB_A06_A01_input.yaml
QB_A06_A01.pdb
QB_A06_A01.prmtop
QB_A06_A01_sys.xml
run.bat
run.sh
01:34:31 (83608): Library/usr/bin/tar.exe exited; CPU time 0.031250
01:34:31 (83608): 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\0\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\0\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.
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
05:23:24 (83608): C:/Windows/system32/cmd.exe exited; CPU time 13366.453125
05:23:24 (83608): 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: 245212897 bytes.
Dumping objects ->
{3835515} normal block at 0x000001DB28F2C040, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835504} normal block at 0x000001DB28F2C0B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835493} normal block at 0x000001DB28F2C740, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835482} normal block at 0x000001DB27301480, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835471} normal block at 0x000001DB27301410, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835440} normal block at 0x000001DB28F79300, 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) : {3835427} normal block at 0x000001DB272FD7E0, 8 bytes long.
Data: < *'Û > 00 00 2A 27 DB 01 00 00
{3833963} normal block at 0x000001DB272FDD80, 8 bytes long.
Data: <ð¢2'Û > F0 A2 32 27 DB 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001DB272F0CE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001DB272F1CF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001DB27304EF0, 16 bytes long.
Data: <è`0'Û > E8 60 30 27 DB 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001DB273050D0, 16 bytes long.
Data: <À`0'Û > C0 60 30 27 DB 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001DB272FF8F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000001DB273056C0, 16 bytes long.
Data: < `0'Û > 98 60 30 27 DB 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001DB27305440, 16 bytes long.
Data: <p`0'Û > 70 60 30 27 DB 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001DB27305C60, 16 bytes long.
Data: <H`0'Û > 48 60 30 27 DB 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001DB27305B20, 16 bytes long.
Data: < `0'Û > 20 60 30 27 DB 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001DB27301100, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001DB27305D00, 16 bytes long.
Data: <Èö.'Û > C8 F6 2E 27 DB 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001DB27300310, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001DB27305990, 16 bytes long.
Data: < ö.'Û > A0 F6 2E 27 DB 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001DB27304EA0, 16 bytes long.
Data: <xö.'Û > 78 F6 2E 27 DB 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001DB27305760, 16 bytes long.
Data: <Pö.'Û > 50 F6 2E 27 DB 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001DB27305CB0, 16 bytes long.
Data: <(ö.'Û > 28 F6 2E 27 DB 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001DB273053A0, 16 bytes long.
Data: < ö.'Û > 00 F6 2E 27 DB 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001DB27305300, 16 bytes long.
Data: <Øõ.'Û > D8 F5 2E 27 DB 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001DB272FFBF0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000001DB27305940, 16 bytes long.
Data: <°õ.'Û > B0 F5 2E 27 DB 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001DB272EF5B0, 320 bytes long.
Data: <@Y0'Û ðû/'Û > 40 59 30 27 DB 01 00 00 F0 FB 2F 27 DB 01 00 00
{277} normal block at 0x000001DB273052B0, 16 bytes long.
Data: < `0'Û > 00 60 30 27 DB 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001DB273054E0, 16 bytes long.
Data: <Ø_0'Û > D8 5F 30 27 DB 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001DB27300010, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001DB27305170, 16 bytes long.
Data: <°_0'Û > B0 5F 30 27 DB 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001DB273005B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000001DB273055D0, 16 bytes long.
Data: <ø^0'Û > F8 5E 30 27 DB 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001DB27305670, 16 bytes long.
Data: <Ð^0'Û > D0 5E 30 27 DB 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001DB273051C0, 16 bytes long.
Data: <¨^0'Û > A8 5E 30 27 DB 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001DB27305C10, 16 bytes long.
Data: < ^0'Û > 80 5E 30 27 DB 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001DB27305A80, 16 bytes long.
Data: <X^0'Û > 58 5E 30 27 DB 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001DB27305260, 16 bytes long.
Data: <0^0'Û > 30 5E 30 27 DB 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001DB27305620, 16 bytes long.
Data: < 0'Û > 20 10 30 27 DB 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001DB27301020, 40 bytes long.
Data: < V0'Û “÷(Û > 20 56 30 27 DB 01 00 00 00 93 F7 28 DB 01 00 00
{263} normal block at 0x000001DB273059E0, 16 bytes long.
Data: < ^0'Û > 10 5E 30 27 DB 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001DB27305210, 16 bytes long.
Data: <è]0'Û > E8 5D 30 27 DB 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001DB273004F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000001DB27304F90, 16 bytes long.
Data: <À]0'Û > C0 5D 30 27 DB 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001DB27305DC0, 992 bytes long.
Data: < O0'Û ð 0'Û > 90 4F 30 27 DB 01 00 00 F0 04 30 27 DB 01 00 00
{95} normal block at 0x000001DB27300490, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000001DB272FDCE0, 16 bytes long.
Data: <P 0'Û > 50 12 30 27 DB 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001DB27301250, 40 bytes long.
Data: <àÜ/'Û 0'Û > E0 DC 2F 27 DB 01 00 00 90 04 30 27 DB 01 00 00
{72} normal block at 0x000001DB272FD6A0, 16 bytes long.
Data: < ê "ö > 80 EA 20 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001DB272FD740, 16 bytes long.
Data: <@é "ö > 40 E9 20 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001DB272FD9C0, 16 bytes long.
Data: <øW "ö > F8 57 1D 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001DB272FD600, 16 bytes long.
Data: <ØW "ö > D8 57 1D 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001DB272FDE20, 16 bytes long.
Data: <P "ö > 50 04 1D 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001DB272FDC40, 16 bytes long.
Data: <0 "ö > 30 04 1D 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001DB272FE2D0, 16 bytes long.
Data: <à "ö > E0 02 1D 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001DB272FE280, 16 bytes long.
Data: < "ö > 10 04 1D 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001DB272FDD30, 16 bytes long.
Data: <p "ö > 70 04 1D 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001DB272FE500, 16 bytes long.
Data: < À "ö > 18 C0 1B 22 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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