Task 38625774
| Name | p38_A30_A33_r0_4-QUICO_ATM_OpenFF_p38-5-6-RND8670_0 |
| Workunit | 31575928 |
| Created | 24 Apr 2026, 0:58:00 UTC |
| Sent | 24 Apr 2026, 0:58:06 UTC |
| Report deadline | 29 Apr 2026, 0:58:06 UTC |
| Received | 24 Apr 2026, 7:09:28 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 535048 |
| Run time | 6 hours 9 min 58 sec |
| CPU time | 5 hours 34 min 3 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 29,358.27 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 725.26 MB |
| Peak swap size | 13.00 GB |
| Peak disk usage | 3.07 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
17:59:25 (12912): wrapper (7.9.26016): starting
17:59:25 (12912): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A30_A33_0.pdb
QB_A30_A33_0.xml
QB_A30_A33.inpcrd
QB_A30_A33_input.yaml
QB_A30_A33.pdb
QB_A30_A33.prmtop
QB_A30_A33_sys.xml
run.bat
run.sh
17:59:26 (12912): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:59:26 (12912): 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
00:08:18 (12912): C:/Windows/system32/cmd.exe exited; CPU time 20043.718750
00:08:18 (12912): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 302130061 bytes.
Dumping objects ->
{3835316} normal block at 0x0000015B23F45680, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835305} normal block at 0x0000015B23F456F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835294} normal block at 0x0000015B23F455A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835283} normal block at 0x0000015B23F451B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835272} normal block at 0x0000015B23F454C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835241} normal block at 0x0000015B25CA6910, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835230} normal block at 0x0000015B25CBE520, 102 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) : {3835227} normal block at 0x0000015B23F3D930, 8 bytes long.
Data: < í#[ > 00 00 ED 23 5B 01 00 00
{3834576} normal block at 0x0000015B25CBEF70, 102 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 0x0000015B23F3D250, 8 bytes long.
Data: <@Øò#[ > 40 D8 F2 23 5B 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000015B23F313B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000015B23F327D0, 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 0x0000015B23F46100, 16 bytes long.
Data: <Èkô#[ > C8 6B F4 23 5B 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000015B23F46790, 16 bytes long.
Data: < kô#[ > A0 6B F4 23 5B 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000015B23F417F0, 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 0x0000015B23F45E30, 16 bytes long.
Data: <xkô#[ > 78 6B F4 23 5B 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000015B23F45F70, 16 bytes long.
Data: <Pkô#[ > 50 6B F4 23 5B 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000015B23F46380, 16 bytes long.
Data: <(kô#[ > 28 6B F4 23 5B 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000015B23F45ED0, 16 bytes long.
Data: < kô#[ > 00 6B F4 23 5B 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000015B23F45450, 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 0x0000015B23F46740, 16 bytes long.
Data: < óò#[ > 98 F3 F2 23 5B 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000015B23F40D10, 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 0x0000015B23F46150, 16 bytes long.
Data: <póò#[ > 70 F3 F2 23 5B 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000015B23F464C0, 16 bytes long.
Data: <Hóò#[ > 48 F3 F2 23 5B 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000015B23F459D0, 16 bytes long.
Data: < óò#[ > 20 F3 F2 23 5B 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000015B23F46330, 16 bytes long.
Data: <øòò#[ > F8 F2 F2 23 5B 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000015B23F45CA0, 16 bytes long.
Data: <Ðòò#[ > D0 F2 F2 23 5B 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000015B23F462E0, 16 bytes long.
Data: <¨òò#[ > A8 F2 F2 23 5B 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000015B23F41490, 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 0x0000015B23F46240, 16 bytes long.
Data: < òò#[ > 80 F2 F2 23 5B 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000015B23F2F280, 320 bytes long.
Data: <@bô#[ ô#[ > 40 62 F4 23 5B 01 00 00 90 14 F4 23 5B 01 00 00
{275} normal block at 0x0000015B23F466F0, 16 bytes long.
Data: <àjô#[ > E0 6A F4 23 5B 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000015B23F45C50, 16 bytes long.
Data: <¸jô#[ > B8 6A F4 23 5B 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000015B23F41B50, 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 0x0000015B23F46290, 16 bytes long.
Data: < jô#[ > 90 6A F4 23 5B 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000015B23F415B0, 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 0x0000015B23F46060, 16 bytes long.
Data: <Øiô#[ > D8 69 F4 23 5B 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000015B23F46650, 16 bytes long.
Data: <°iô#[ > B0 69 F4 23 5B 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000015B23F46830, 16 bytes long.
Data: < iô#[ > 88 69 F4 23 5B 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000015B23F46560, 16 bytes long.
Data: <`iô#[ > 60 69 F4 23 5B 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000015B23F45980, 16 bytes long.
Data: <8iô#[ > 38 69 F4 23 5B 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000015B23F45B10, 16 bytes long.
Data: < iô#[ > 10 69 F4 23 5B 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000015B23F460B0, 16 bytes long.
Data: < Rô#[ > 20 52 F4 23 5B 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000015B23F45220, 40 bytes long.
Data: <°`ô#[ iÊ%[ > B0 60 F4 23 5B 01 00 00 10 69 CA 25 5B 01 00 00
{261} normal block at 0x0000015B23F45F20, 16 bytes long.
Data: <ðhô#[ > F0 68 F4 23 5B 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000015B23F466A0, 16 bytes long.
Data: <Èhô#[ > C8 68 F4 23 5B 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000015B23F41070, 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 0x0000015B23F45B60, 16 bytes long.
Data: < hô#[ > A0 68 F4 23 5B 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000015B23F468A0, 992 bytes long.
Data: <`[ô#[ p ô#[ > 60 5B F4 23 5B 01 00 00 70 10 F4 23 5B 01 00 00
{93} normal block at 0x0000015B23F41430, 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 0x0000015B23F3D8E0, 16 bytes long.
Data: <0æò#[ > 30 E6 F2 23 5B 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000015B23F2E630, 40 bytes long.
Data: <àØó#[ 0 ô#[ > E0 D8 F3 23 5B 01 00 00 30 14 F4 23 5B 01 00 00
{70} normal block at 0x0000015B23F3D750, 16 bytes long.
Data: < ê“Çö > 80 EA 93 C7 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000015B23F3D340, 16 bytes long.
Data: <@é“Çö > 40 E9 93 C7 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000015B23F3DF70, 16 bytes long.
Data: <øW Çö > F8 57 90 C7 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000015B23F3D200, 16 bytes long.
Data: <ØW Çö > D8 57 90 C7 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000015B23F3DE80, 16 bytes long.
Data: <P Çö > 50 04 90 C7 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000015B23F3D890, 16 bytes long.
Data: <0 Çö > 30 04 90 C7 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000015B23F3DAC0, 16 bytes long.
Data: <à Çö > E0 02 90 C7 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000015B23F3E100, 16 bytes long.
Data: < Çö > 10 04 90 C7 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000015B23F3DB10, 16 bytes long.
Data: <p Çö > 70 04 90 C7 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000015B23F3D2F0, 16 bytes long.
Data: < ÀŽÇö > 18 C0 8E C7 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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