Task 38611084
| Name | tnks2_A02_A26_r0_4-QUICO_ATM_GAFF2_NAGL_TNKS2-3-6-RND9450_1 |
| Workunit | 31561864 |
| Created | 15 Apr 2026, 15:52:16 UTC |
| Sent | 15 Apr 2026, 15:52:23 UTC |
| Report deadline | 20 Apr 2026, 15:52:23 UTC |
| Received | 15 Apr 2026, 23:43:09 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643627 |
| Run time | 2 hours 2 min 46 sec |
| CPU time | 1 hours 58 min 49 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 83,076.53 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 598.27 MB |
| Peak swap size | 12.96 GB |
| Peak disk usage | 2.96 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
16:32:26 (39328): wrapper (7.9.26016): starting
16:32:26 (39328): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A26_0.pdb
QB_A02_A26_0.xml
QB_A02_A26.inpcrd
QB_A02_A26_input.yaml
QB_A02_A26.pdb
QB_A02_A26.prmtop
QB_A02_A26_sys.xml
run.bat
run.sh
16:32:27 (39328): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:32:27 (39328): 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\20\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\20\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
18:34:20 (39328): C:/Windows/system32/cmd.exe exited; CPU time 7129.531250
18:34:20 (39328): 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: 144860895 bytes.
Dumping objects ->
{3835495} normal block at 0x0000023FF80A57A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835484} normal block at 0x0000023FF80A55E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835473} normal block at 0x0000023FF80A5570, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835462} normal block at 0x0000023FF80A5730, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835451} normal block at 0x0000023FF80A5500, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835420} normal block at 0x0000023FF9DB6300, 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) : {3835407} normal block at 0x0000023FF809DEF0, 8 bytes long.
Data: < ø? > 00 00 06 F8 3F 02 00 00
{3833967} normal block at 0x0000023FF809D860, 8 bytes long.
Data: <àHáù? > E0 48 E1 F9 3F 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000023FF80912F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000023FF8092430, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x0000023FF80A6A40, 16 bytes long.
Data: < p ø? > 08 70 0A F8 3F 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000023FF80A5F50, 16 bytes long.
Data: <ào ø? > E0 6F 0A F8 3F 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000023FF80A08E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x0000023FF80A6450, 16 bytes long.
Data: <¸o ø? > B8 6F 0A F8 3F 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000023FF80A69F0, 16 bytes long.
Data: < o ø? > 90 6F 0A F8 3F 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000023FF80A60E0, 16 bytes long.
Data: <ho ø? > 68 6F 0A F8 3F 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000023FF80A6400, 16 bytes long.
Data: <@o ø? > 40 6F 0A F8 3F 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000023FF80A5650, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x0000023FF80A6680, 16 bytes long.
Data: <Ø÷ ø? > D8 F7 08 F8 3F 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000023FF80A00A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x0000023FF80A6C20, 16 bytes long.
Data: <°÷ ø? > B0 F7 08 F8 3F 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000023FF80A6180, 16 bytes long.
Data: < ÷ ø? > 88 F7 08 F8 3F 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000023FF80A5EB0, 16 bytes long.
Data: <`÷ ø? > 60 F7 08 F8 3F 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000023FF80A6860, 16 bytes long.
Data: <8÷ ø? > 38 F7 08 F8 3F 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000023FF80A5F00, 16 bytes long.
Data: < ÷ ø? > 10 F7 08 F8 3F 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000023FF80A5D70, 16 bytes long.
Data: <èö ø? > E8 F6 08 F8 3F 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000023FF80A01C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x0000023FF80A69A0, 16 bytes long.
Data: <Àö ø? > C0 F6 08 F8 3F 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000023FF808F6C0, 320 bytes long.
Data: < i ø? À ø? > A0 69 0A F8 3F 02 00 00 C0 01 0A F8 3F 02 00 00
{279} normal block at 0x0000023FF80A63B0, 16 bytes long.
Data: < o ø? > 20 6F 0A F8 3F 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000023FF80A6810, 16 bytes long.
Data: <øn ø? > F8 6E 0A F8 3F 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000023FF80A0160, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x0000023FF80A5E10, 16 bytes long.
Data: <Ðn ø? > D0 6E 0A F8 3F 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023FF809FDA0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x0000023FF80A5D20, 16 bytes long.
Data: < n ø? > 18 6E 0A F8 3F 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023FF80A6B30, 16 bytes long.
Data: <ðm ø? > F0 6D 0A F8 3F 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000023FF80A5FA0, 16 bytes long.
Data: <Èm ø? > C8 6D 0A F8 3F 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000023FF80A5FF0, 16 bytes long.
Data: < m ø? > A0 6D 0A F8 3F 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000023FF80A6360, 16 bytes long.
Data: <xm ø? > 78 6D 0A F8 3F 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000023FF80A6950, 16 bytes long.
Data: <Pm ø? > 50 6D 0A F8 3F 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000023FF80A5E60, 16 bytes long.
Data: < Q ø? > 10 51 0A F8 3F 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000023FF80A5110, 40 bytes long.
Data: <`^ ø? cÛù? > 60 5E 0A F8 3F 02 00 00 00 63 DB F9 3F 02 00 00
{265} normal block at 0x0000023FF80A62C0, 16 bytes long.
Data: <0m ø? > 30 6D 0A F8 3F 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000023FF80A68B0, 16 bytes long.
Data: < m ø? > 08 6D 0A F8 3F 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000023FF80A07C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x0000023FF80A6270, 16 bytes long.
Data: <àl ø? > E0 6C 0A F8 3F 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000023FF80A6CE0, 992 bytes long.
Data: <pb ø? À ø? > 70 62 0A F8 3F 02 00 00 C0 07 0A F8 3F 02 00 00
{97} normal block at 0x0000023FF80A04C0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x0000023FF809D810, 16 bytes long.
Data: <àä ø? > E0 E4 08 F8 3F 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000023FF808E4E0, 40 bytes long.
Data: < Ø ø? À ø? > 10 D8 09 F8 3F 02 00 00 C0 04 0A F8 3F 02 00 00
{74} normal block at 0x0000023FF809DB30, 16 bytes long.
Data: < ê àö > 80 EA 01 E0 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000023FF809DE50, 16 bytes long.
Data: <@é àö > 40 E9 01 E0 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000023FF809DBD0, 16 bytes long.
Data: <øWþßö > F8 57 FE DF F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000023FF809E440, 16 bytes long.
Data: <ØWþßö > D8 57 FE DF F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000023FF809E760, 16 bytes long.
Data: <P þßö > 50 04 FE DF F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000023FF809E580, 16 bytes long.
Data: <0 þßö > 30 04 FE DF F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000023FF809DE00, 16 bytes long.
Data: <à þßö > E0 02 FE DF F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000023FF809E2B0, 16 bytes long.
Data: < þßö > 10 04 FE DF F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000023FF809DEA0, 16 bytes long.
Data: <p þßö > 70 04 FE DF F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000023FF809E030, 16 bytes long.
Data: < Àüßö > 18 C0 FC DF F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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