Task 38598434
| Name | PTP1B_A11_A19_r0_5-QUICO_ATM_GAFF2_NAGL_PTP1B-0-6-RND0254_5 |
| Workunit | 31553568 |
| Created | 8 Apr 2026, 9:49:45 UTC |
| Sent | 8 Apr 2026, 9:50:11 UTC |
| Report deadline | 13 Apr 2026, 9:50:11 UTC |
| Received | 8 Apr 2026, 14:54:14 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 644411 |
| Run time | 4 hours 53 min 37 sec |
| CPU time | 4 hours 49 min 39 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 21,558.18 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 511.22 MB |
| Peak swap size | 6.72 GB |
| Peak disk usage | 2.95 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
06:01:44 (20916): wrapper (7.9.26016): starting
06:01:44 (20916): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A11_A19_0.pdb
QB_A11_A19_0.xml
QB_A11_A19.inpcrd
QB_A11_A19_input.yaml
QB_A11_A19.pdb
QB_A11_A19.prmtop
QB_A11_A19_sys.xml
run.bat
run.sh
06:01:46 (20916): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:01:46 (20916): 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
10:53:55 (20916): C:/Windows/system32/cmd.exe exited; CPU time 17379.125000
10:53:55 (20916): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 248724725 bytes.
Dumping objects ->
{3835206} normal block at 0x000001A905B97230, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835195} normal block at 0x000001A905B96AC0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835184} normal block at 0x000001A905B96F90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835173} normal block at 0x000001A905B96F20, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835162} normal block at 0x000001A905B97000, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835131} normal block at 0x000001A905ABF7F0, 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) : {3835118} normal block at 0x000001A903EADA00, 8 bytes long.
Data: < ã © > 00 00 E3 03 A9 01 00 00
{3833959} normal block at 0x000001A903EAD3C0, 8 bytes long.
Data: <àÀµ © > E0 C0 B5 05 A9 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001A903EA5EC0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001A903EA32F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001A903EB89B0, 16 bytes long.
Data: < <ë © > 98 3C EB 03 A9 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001A903EB8AF0, 16 bytes long.
Data: <p<ë © > 70 3C EB 03 A9 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001A903EB3F80, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001A903EB8AA0, 16 bytes long.
Data: <H<ë © > 48 3C EB 03 A9 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001A903EB8CD0, 16 bytes long.
Data: < <ë © > 20 3C EB 03 A9 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001A903EB8730, 16 bytes long.
Data: <ø;ë © > F8 3B EB 03 A9 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001A903EB82D0, 16 bytes long.
Data: <Ð;ë © > D0 3B EB 03 A9 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001A903EB3120, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001A903EB88C0, 16 bytes long.
Data: <Èäé © > C8 E4 E9 03 A9 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001A903EB40A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001A903EB8690, 16 bytes long.
Data: < äé © > A0 E4 E9 03 A9 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001A903EB85A0, 16 bytes long.
Data: <xäé © > 78 E4 E9 03 A9 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001A903EB87D0, 16 bytes long.
Data: <Päé © > 50 E4 E9 03 A9 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001A903EB8F00, 16 bytes long.
Data: <(äé © > 28 E4 E9 03 A9 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001A903EB8780, 16 bytes long.
Data: < äé © > 00 E4 E9 03 A9 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001A903EB8E60, 16 bytes long.
Data: <Øãé © > D8 E3 E9 03 A9 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001A903EB4040, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001A903EB8410, 16 bytes long.
Data: <°ãé © > B0 E3 E9 03 A9 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001A903E9E3B0, 320 bytes long.
Data: < „ë © @@ë © > 10 84 EB 03 A9 01 00 00 40 40 EB 03 A9 01 00 00
{275} normal block at 0x000001A903EB8C80, 16 bytes long.
Data: <°;ë © > B0 3B EB 03 A9 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001A903EB8280, 16 bytes long.
Data: < ;ë © > 88 3B EB 03 A9 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001A903EB48E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001A903EB8D70, 16 bytes long.
Data: <`;ë © > 60 3B EB 03 A9 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001A903EB4E20, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001A903EB83C0, 16 bytes long.
Data: <¨:ë © > A8 3A EB 03 A9 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001A903EB86E0, 16 bytes long.
Data: < :ë © > 80 3A EB 03 A9 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001A903EB8190, 16 bytes long.
Data: <X:ë © > 58 3A EB 03 A9 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001A903EB8640, 16 bytes long.
Data: <0:ë © > 30 3A EB 03 A9 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001A903EB8FA0, 16 bytes long.
Data: < :ë © > 08 3A EB 03 A9 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001A903EB8870, 16 bytes long.
Data: <à9ë © > E0 39 EB 03 A9 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001A903EB8820, 16 bytes long.
Data: <ð.ë © > F0 2E EB 03 A9 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001A903EB2EF0, 40 bytes long.
Data: < ë © ð÷« © > 20 88 EB 03 A9 01 00 00 F0 F7 AB 05 A9 01 00 00
{261} normal block at 0x000001A903EB84B0, 16 bytes long.
Data: <À9ë © > C0 39 EB 03 A9 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001A903EB8460, 16 bytes long.
Data: < 9ë © > 98 39 EB 03 A9 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001A903EB46A0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001A903EB8EB0, 16 bytes long.
Data: <p9ë © > 70 39 EB 03 A9 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001A903EB3970, 992 bytes long.
Data: <°Žë ©  Fë © > B0 8E EB 03 A9 01 00 00 A0 46 EB 03 A9 01 00 00
{93} normal block at 0x000001A903EB45E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001A903EAD140, 16 bytes long.
Data: <0-ë © > 30 2D EB 03 A9 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001A903EB2D30, 40 bytes long.
Data: <@Ñê © àEë © > 40 D1 EA 03 A9 01 00 00 E0 45 EB 03 A9 01 00 00
{70} normal block at 0x000001A903EAD0F0, 16 bytes long.
Data: < êûzö > 80 EA FB 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001A903EAD410, 16 bytes long.
Data: <@éûzö > 40 E9 FB 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001A903EAD370, 16 bytes long.
Data: <øWøzö > F8 57 F8 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001A903EAD0A0, 16 bytes long.
Data: <ØWøzö > D8 57 F8 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001A903EAD000, 16 bytes long.
Data: <P øzö > 50 04 F8 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001A903EAD820, 16 bytes long.
Data: <0 øzö > 30 04 F8 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001A903EADAF0, 16 bytes long.
Data: <à øzö > E0 02 F8 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001A903EAD280, 16 bytes long.
Data: < øzö > 10 04 F8 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001A903EACEC0, 16 bytes long.
Data: <p øzö > 70 04 F8 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001A903EAD690, 16 bytes long.
Data: < Àözö > 18 C0 F6 7A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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