Task 38620994
| Name | p38_2_A02_A08_r0_3-QUICO_ATM_GAFF2_NAGL_p38_2-4-6-RND5888_0 |
| Workunit | 31572077 |
| Created | 19 Apr 2026, 14:34:02 UTC |
| Sent | 19 Apr 2026, 14:34:07 UTC |
| Report deadline | 24 Apr 2026, 14:34:07 UTC |
| Received | 20 Apr 2026, 9:06:13 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 632099 |
| Run time | 4 hours 24 min 36 sec |
| CPU time | 4 hours 24 min 36 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 30,034.22 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 714.63 MB |
| Peak swap size | 12.93 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
20:49:26 (20860): wrapper (7.9.26016): starting
20:49:26 (20860): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A08_0.pdb
QB_A02_A08_0.xml
QB_A02_A08.inpcrd
QB_A02_A08_input.yaml
QB_A02_A08.pdb
QB_A02_A08.prmtop
QB_A02_A08_sys.xml
run.bat
run.sh
20:49:28 (20860): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:49:28 (20860): 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\2\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\2\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
00:57:34 (20860): C:/Windows/system32/cmd.exe exited; CPU time 15876.453125
00:57:34 (20860): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 bytes in 8 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: 188581637 bytes.
Dumping objects ->
{3835332} normal block at 0x000002D6129B0A00, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835321} normal block at 0x000002D6129B0B50, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835310} normal block at 0x000002D6129B1100, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835299} normal block at 0x000002D6129B16B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835288} normal block at 0x000002D6129B1640, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835257} normal block at 0x000002D612A5B1B0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835246} normal block at 0x000002D612A52B00, 160 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835243} normal block at 0x000002D610E98030, 8 bytes long.
Data: < á Ö > 00 00 E1 10 D6 02 00 00
{3834597} normal block at 0x000002D612A52400, 160 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833967} normal block at 0x000002D610E97680, 8 bytes long.
Data: <° ¥ Ö > B0 0C A5 12 D6 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002D610EA1120, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002D610E9D910, 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 0x000002D610EA2110, 16 bytes long.
Data: <X7ê Ö > 58 37 EA 10 D6 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002D610EA2610, 16 bytes long.
Data: <07ê Ö > 30 37 EA 10 D6 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002D610E9DE60, 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 0x000002D610EA20C0, 16 bytes long.
Data: < 7ê Ö > 08 37 EA 10 D6 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002D610EA2070, 16 bytes long.
Data: <à6ê Ö > E0 36 EA 10 D6 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002D610EA2520, 16 bytes long.
Data: <¸6ê Ö > B8 36 EA 10 D6 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002D610EA2DE0, 16 bytes long.
Data: < 6ê Ö > 90 36 EA 10 D6 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002D610E9C380, 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 0x000002D610EA2660, 16 bytes long.
Data: < µè Ö > 88 B5 E8 10 D6 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002D610E9E7C0, 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 0x000002D610EA2D90, 16 bytes long.
Data: <`µè Ö > 60 B5 E8 10 D6 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002D610EA2D40, 16 bytes long.
Data: <8µè Ö > 38 B5 E8 10 D6 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002D610EA2CF0, 16 bytes long.
Data: < µè Ö > 10 B5 E8 10 D6 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002D610EA2750, 16 bytes long.
Data: <è´è Ö > E8 B4 E8 10 D6 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002D610EA2C50, 16 bytes long.
Data: <À´è Ö > C0 B4 E8 10 D6 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002D610EA2A70, 16 bytes long.
Data: < ´è Ö > 98 B4 E8 10 D6 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002D610E9E2E0, 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 0x000002D610EA2A20, 16 bytes long.
Data: <p´è Ö > 70 B4 E8 10 D6 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002D610E8B470, 320 bytes long.
Data: < *ê Ö àâé Ö > 20 2A EA 10 D6 02 00 00 E0 E2 E9 10 D6 02 00 00
{279} normal block at 0x000002D610EA24D0, 16 bytes long.
Data: <p6ê Ö > 70 36 EA 10 D6 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002D610EA25C0, 16 bytes long.
Data: <H6ê Ö > 48 36 EA 10 D6 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002D610E9E1C0, 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 0x000002D610EA27F0, 16 bytes long.
Data: < 6ê Ö > 20 36 EA 10 D6 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002D610E9E160, 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 0x000002D610EA2CA0, 16 bytes long.
Data: <h5ê Ö > 68 35 EA 10 D6 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002D610EA2F20, 16 bytes long.
Data: <@5ê Ö > 40 35 EA 10 D6 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002D610EA28E0, 16 bytes long.
Data: < 5ê Ö > 18 35 EA 10 D6 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002D610EA2B10, 16 bytes long.
Data: <ð4ê Ö > F0 34 EA 10 D6 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002D610EA29D0, 16 bytes long.
Data: <È4ê Ö > C8 34 EA 10 D6 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002D610EA2BB0, 16 bytes long.
Data: < 4ê Ö > A0 34 EA 10 D6 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002D610EA2480, 16 bytes long.
Data: <0Âé Ö > 30 C2 E9 10 D6 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002D610E9C230, 40 bytes long.
Data: < $ê Ö °±¥ Ö > 80 24 EA 10 D6 02 00 00 B0 B1 A5 12 D6 02 00 00
{265} normal block at 0x000002D610EA2250, 16 bytes long.
Data: < 4ê Ö > 80 34 EA 10 D6 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002D610EA2C00, 16 bytes long.
Data: <X4ê Ö > 58 34 EA 10 D6 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002D610E9DDA0, 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 0x000002D610EA2B60, 16 bytes long.
Data: <04ê Ö > 30 34 EA 10 D6 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002D610EA3430, 992 bytes long.
Data: <`+ê Ö  Ýé Ö > 60 2B EA 10 D6 02 00 00 A0 DD E9 10 D6 02 00 00
{97} normal block at 0x000002D610E9E880, 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 0x000002D610E979F0, 16 bytes long.
Data: <@Åé Ö > 40 C5 E9 10 D6 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000002D610E9C540, 40 bytes long.
Data: <ðyé Ö èé Ö > F0 79 E9 10 D6 02 00 00 80 E8 E9 10 D6 02 00 00
{74} normal block at 0x000002D610E983A0, 16 bytes long.
Data: < ê²]÷ > 80 EA B2 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002D610E98260, 16 bytes long.
Data: <@é²]÷ > 40 E9 B2 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002D610E98300, 16 bytes long.
Data: <øW¯]÷ > F8 57 AF 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002D610E97D60, 16 bytes long.
Data: <ØW¯]÷ > D8 57 AF 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002D610E98350, 16 bytes long.
Data: <P ¯]÷ > 50 04 AF 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002D610E97FE0, 16 bytes long.
Data: <0 ¯]÷ > 30 04 AF 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002D610E98120, 16 bytes long.
Data: <à ¯]÷ > E0 02 AF 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002D610E98210, 16 bytes long.
Data: < ¯]÷ > 10 04 AF 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002D610E97590, 16 bytes long.
Data: <p ¯]÷ > 70 04 AF 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002D610E97D10, 16 bytes long.
Data: < À­]÷ > 18 C0 AD 5D F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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