Task 38609733
| Name | p38_A04_A14_r0_4-QUICO_ATM_OpenFF_p38-2-6-RND3750_0 |
| Workunit | 31562739 |
| Created | 15 Apr 2026, 2:27:25 UTC |
| Sent | 15 Apr 2026, 2:27:31 UTC |
| Report deadline | 20 Apr 2026, 2:27:31 UTC |
| Received | 15 Apr 2026, 11:45:07 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648012 |
| Run time | 4 hours 5 min 43 sec |
| CPU time | 4 hours 5 min 43 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 26,737.47 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 740.59 MB |
| Peak swap size | 9.98 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
00:40:34 (34596): wrapper (7.9.26016): starting
00:40:34 (34596): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A14_0.pdb
QB_A04_A14_0.xml
QB_A04_A14.inpcrd
QB_A04_A14_input.yaml
QB_A04_A14.pdb
QB_A04_A14.prmtop
QB_A04_A14_sys.xml
run.bat
run.sh
00:40:35 (34596): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:40:35 (34596): 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
04:44:45 (34596): C:/Windows/system32/cmd.exe exited; CPU time 14742.984375
04:44:45 (34596): 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: 295981055 bytes.
Dumping objects ->
{3835428} normal block at 0x000001B2AF6E7150, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835417} normal block at 0x000001B2AF6E70E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835406} normal block at 0x000001B2AF6E7000, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835395} normal block at 0x000001B2AF6E72A0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835384} normal block at 0x000001B2AF6E6F20, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835353} normal block at 0x000001B2B153B030, 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) : {3835340} normal block at 0x000001B2AF6DE9C0, 8 bytes long.
Data: < f¯² > 00 00 66 AF B2 01 00 00
{3833957} normal block at 0x000001B2AF6DE5B0, 8 bytes long.
Data: < KY±² > 80 4B 59 B1 B2 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001B2AF6D0E90, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001B2AF6D2040, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001B2AF6E6110, 16 bytes long.
Data: <8kn¯² > 38 6B 6E AF B2 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001B2AF6E6750, 16 bytes long.
Data: < kn¯² > 10 6B 6E AF B2 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B2AF6E1F30, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001B2AF6E5BC0, 16 bytes long.
Data: <èjn¯² > E8 6A 6E AF B2 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B2AF6E60C0, 16 bytes long.
Data: <Àjn¯² > C0 6A 6E AF B2 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B2AF6E5F30, 16 bytes long.
Data: < jn¯² > 98 6A 6E AF B2 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B2AF6E61B0, 16 bytes long.
Data: <pjn¯² > 70 6A 6E AF B2 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B2AF6E6CF0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001B2AF6E64D0, 16 bytes long.
Data: < m¯² > 18 07 6D AF B2 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B2AF6E1E70, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001B2AF6E6610, 16 bytes long.
Data: <ð m¯² > F0 06 6D AF B2 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B2AF6E6700, 16 bytes long.
Data: <È m¯² > C8 06 6D AF B2 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B2AF6E6340, 16 bytes long.
Data: <  m¯² > A0 06 6D AF B2 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B2AF6E65C0, 16 bytes long.
Data: <x m¯² > 78 06 6D AF B2 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B2AF6E5F80, 16 bytes long.
Data: <P m¯² > 50 06 6D AF B2 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B2AF6E5B20, 16 bytes long.
Data: <( m¯² > 28 06 6D AF B2 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B2AF6E1810, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000001B2AF6E6430, 16 bytes long.
Data: < m¯² > 00 06 6D AF B2 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B2AF6D0600, 320 bytes long.
Data: <0dn¯² n¯² > 30 64 6E AF B2 01 00 00 10 18 6E AF B2 01 00 00
{274} normal block at 0x000001B2AF6E63E0, 16 bytes long.
Data: <Pjn¯² > 50 6A 6E AF B2 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B2AF6E6520, 16 bytes long.
Data: <(jn¯² > 28 6A 6E AF B2 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B2AF6E1B10, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001B2AF6E6020, 16 bytes long.
Data: < jn¯² > 00 6A 6E AF B2 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B2AF6E20B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001B2AF6E5DA0, 16 bytes long.
Data: <Hin¯² > 48 69 6E AF B2 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B2AF6E6200, 16 bytes long.
Data: < in¯² > 20 69 6E AF B2 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B2AF6E5D50, 16 bytes long.
Data: <øhn¯² > F8 68 6E AF B2 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B2AF6E62F0, 16 bytes long.
Data: <Ðhn¯² > D0 68 6E AF B2 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B2AF6E5E40, 16 bytes long.
Data: <¨hn¯² > A8 68 6E AF B2 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B2AF6E5FD0, 16 bytes long.
Data: < hn¯² > 80 68 6E AF B2 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001B2AF6E6480, 16 bytes long.
Data: <pÀl¯² > 70 C0 6C AF B2 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B2AF6CC070, 40 bytes long.
Data: < dn¯² 0°S±² > 80 64 6E AF B2 01 00 00 30 B0 53 B1 B2 01 00 00
{260} normal block at 0x000001B2AF6E59E0, 16 bytes long.
Data: <`hn¯² > 60 68 6E AF B2 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001B2AF6E58F0, 16 bytes long.
Data: <8hn¯² > 38 68 6E AF B2 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001B2AF6E19F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001B2AF6E5940, 16 bytes long.
Data: < hn¯² > 10 68 6E AF B2 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001B2AF6E6810, 992 bytes long.
Data: <@Yn¯² ð n¯² > 40 59 6E AF B2 01 00 00 F0 19 6E AF B2 01 00 00
{92} normal block at 0x000001B2AF6E1990, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001B2AF6DE6F0, 16 bytes long.
Data: < îl¯² > 10 EE 6C AF B2 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001B2AF6CEE10, 40 bytes long.
Data: <ðæm¯² n¯² > F0 E6 6D AF B2 01 00 00 90 19 6E AF B2 01 00 00
{69} normal block at 0x000001B2AF6DE0B0, 16 bytes long.
Data: < ê?|ö > 80 EA 3F 7C F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001B2AF6DDE80, 16 bytes long.
Data: <@é?|ö > 40 E9 3F 7C F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B2AF6DE3D0, 16 bytes long.
Data: <øW<|ö > F8 57 3C 7C F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B2AF6DE6A0, 16 bytes long.
Data: <ØW<|ö > D8 57 3C 7C F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B2AF6DE970, 16 bytes long.
Data: <P <|ö > 50 04 3C 7C F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001B2AF6DDD90, 16 bytes long.
Data: <0 <|ö > 30 04 3C 7C F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001B2AF6DE510, 16 bytes long.
Data: <à <|ö > E0 02 3C 7C F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001B2AF6DE4C0, 16 bytes long.
Data: < <|ö > 10 04 3C 7C F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001B2AF6DEBA0, 16 bytes long.
Data: <p <|ö > 70 04 3C 7C F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001B2AF6DDD40, 16 bytes long.
Data: < À:|ö > 18 C0 3A 7C F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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