Task 38626078
| Name | MCL1_RE_A06_A05_r0_2-QUICO_ATM_GAFF2_NAGL_MCL1_RE-0-6-RND8436_0 |
| Workunit | 31576186 |
| Created | 24 Apr 2026, 8:55:22 UTC |
| Sent | 24 Apr 2026, 8:55:26 UTC |
| Report deadline | 29 Apr 2026, 8:55:26 UTC |
| Received | 24 Apr 2026, 20:55:44 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 642492 |
| Run time | 1 hours 57 min 8 sec |
| CPU time | 1 hours 34 min 44 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 46,388.11 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 501.58 MB |
| Peak swap size | 8.15 GB |
| Peak disk usage | 2.88 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
20:58:48 (22144): wrapper (7.9.26016): starting
20:58:48 (22144): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A06_A05_0.pdb
QB_A06_A05_0.xml
QB_A06_A05.inpcrd
QB_A06_A05_input.yaml
QB_A06_A05.pdb
QB_A06_A05.prmtop
QB_A06_A05_sys.xml
run.bat
run.sh
20:58:49 (22144): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:58:49 (22144): 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.
tar: run.log: file changed as we read it
22:55:19 (22144): C:/Windows/system32/cmd.exe exited; CPU time 5684.812500
22:55:19 (22144): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 103216507 bytes.
Dumping objects ->
{3835298} normal block at 0x00000249F39E3DB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835287} normal block at 0x00000249F1C654A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835276} normal block at 0x00000249F1C65430, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835265} normal block at 0x00000249F1C65350, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835254} normal block at 0x00000249F1C655F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835223} normal block at 0x00000249F3984900, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835212} normal block at 0x00000249F1C50570, 235 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) : {3835209} normal block at 0x00000249F1C5DCC0, 8 bytes long.
Data: < (òI > 00 00 28 F2 49 02 00 00
{3834587} normal block at 0x00000249F389E7D0, 235 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833959} normal block at 0x00000249F1C5D400, 8 bytes long.
Data: <PÙÄñI > 50 D9 C4 F1 49 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000249F1C51740, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000249F1C51BF0, 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 0x00000249F1C66890, 16 bytes long.
Data: <XnÆñI > 58 6E C6 F1 49 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000249F1C660C0, 16 bytes long.
Data: <0nÆñI > 30 6E C6 F1 49 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000249F1C60FF0, 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 0x00000249F1C65F80, 16 bytes long.
Data: < nÆñI > 08 6E C6 F1 49 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000249F1C66750, 16 bytes long.
Data: <àmÆñI > E0 6D C6 F1 49 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000249F1C66390, 16 bytes long.
Data: <¸mÆñI > B8 6D C6 F1 49 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000249F1C65F30, 16 bytes long.
Data: < mÆñI > 90 6D C6 F1 49 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000249F1C65580, 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 0x00000249F1C65FD0, 16 bytes long.
Data: <¨ôÄñI > A8 F4 C4 F1 49 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000249F1C61710, 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 0x00000249F1C663E0, 16 bytes long.
Data: < ôÄñI > 80 F4 C4 F1 49 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000249F1C65E90, 16 bytes long.
Data: <XôÄñI > 58 F4 C4 F1 49 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000249F1C65BC0, 16 bytes long.
Data: <0ôÄñI > 30 F4 C4 F1 49 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000249F1C65B70, 16 bytes long.
Data: < ôÄñI > 08 F4 C4 F1 49 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000249F1C65E40, 16 bytes long.
Data: <àóÄñI > E0 F3 C4 F1 49 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000249F1C65D00, 16 bytes long.
Data: <¸óÄñI > B8 F3 C4 F1 49 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000249F1C61A70, 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 0x00000249F1C65D50, 16 bytes long.
Data: < óÄñI > 90 F3 C4 F1 49 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000249F1C4F390, 320 bytes long.
Data: <P]ÆñI p ÆñI > 50 5D C6 F1 49 02 00 00 70 1A C6 F1 49 02 00 00
{275} normal block at 0x00000249F1C66340, 16 bytes long.
Data: <pmÆñI > 70 6D C6 F1 49 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000249F1C66A70, 16 bytes long.
Data: <HmÆñI > 48 6D C6 F1 49 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000249F1C61830, 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 0x00000249F1C662F0, 16 bytes long.
Data: < mÆñI > 20 6D C6 F1 49 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000249F1C61E30, 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 0x00000249F1C66AC0, 16 bytes long.
Data: <hlÆñI > 68 6C C6 F1 49 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000249F1C662A0, 16 bytes long.
Data: <@lÆñI > 40 6C C6 F1 49 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000249F1C65DF0, 16 bytes long.
Data: < lÆñI > 18 6C C6 F1 49 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000249F1C66570, 16 bytes long.
Data: <ðkÆñI > F0 6B C6 F1 49 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000249F1C66480, 16 bytes long.
Data: <ÈkÆñI > C8 6B C6 F1 49 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000249F1C66070, 16 bytes long.
Data: < kÆñI > A0 6B C6 F1 49 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000249F1C66520, 16 bytes long.
Data: <`VÆñI > 60 56 C6 F1 49 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000249F1C65660, 40 bytes long.
Data: < eÆñI I óI > 20 65 C6 F1 49 02 00 00 00 49 98 F3 49 02 00 00
{261} normal block at 0x00000249F1C65CB0, 16 bytes long.
Data: < kÆñI > 80 6B C6 F1 49 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000249F1C65C60, 16 bytes long.
Data: <XkÆñI > 58 6B C6 F1 49 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000249F1C61470, 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 0x00000249F1C66930, 16 bytes long.
Data: <0kÆñI > 30 6B C6 F1 49 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000249F1C66B30, 992 bytes long.
Data: <0iÆñI p ÆñI > 30 69 C6 F1 49 02 00 00 70 14 C6 F1 49 02 00 00
{93} normal block at 0x00000249F1C617D0, 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 0x00000249F1C5DD60, 16 bytes long.
Data: < ðÄñI > 20 F0 C4 F1 49 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x00000249F1C4F020, 40 bytes long.
Data: <`ÝÅñI Ð ÆñI > 60 DD C5 F1 49 02 00 00 D0 17 C6 F1 49 02 00 00
{70} normal block at 0x00000249F1C5D4F0, 16 bytes long.
Data: < êÆéö > 80 EA C6 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000249F1C5DA40, 16 bytes long.
Data: <@éÆéö > 40 E9 C6 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000249F1C5DD10, 16 bytes long.
Data: <øWÃéö > F8 57 C3 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000249F1C5E170, 16 bytes long.
Data: <ØWÃéö > D8 57 C3 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000249F1C5D9F0, 16 bytes long.
Data: <P Ãéö > 50 04 C3 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000249F1C5E120, 16 bytes long.
Data: <0 Ãéö > 30 04 C3 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000249F1C5D8B0, 16 bytes long.
Data: <à Ãéö > E0 02 C3 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000249F1C5DFE0, 16 bytes long.
Data: < Ãéö > 10 04 C3 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000249F1C5DB30, 16 bytes long.
Data: <p Ãéö > 70 04 C3 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000249F1C5D5E0, 16 bytes long.
Data: < ÀÁéö > 18 C0 C1 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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