Task 38613321
| Name | p38_A08_A06_r0_4-QUICO_ATM_OpenFF_p38-2-6-RND6914_0 |
| Workunit | 31565824 |
| Created | 16 Apr 2026, 18:36:12 UTC |
| Sent | 16 Apr 2026, 18:36:20 UTC |
| Report deadline | 21 Apr 2026, 18:36:20 UTC |
| Received | 17 Apr 2026, 0:09:50 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 639302 |
| Run time | 5 hours 33 min 30 sec |
| CPU time | 5 hours 33 min 48 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 9,739.27 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 709.56 MB |
| Peak swap size | 6.88 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
20:45:45 (16592): wrapper (7.9.26016): starting
20:45:45 (16592): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A08_A06_0.pdb
QB_A08_A06_0.xml
QB_A08_A06.inpcrd
QB_A08_A06_input.yaml
QB_A08_A06.pdb
QB_A08_A06.prmtop
QB_A08_A06_sys.xml
run.bat
run.sh
20:45:46 (16592): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:45:46 (16592): 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
02:09:33 (16592): C:/Windows/system32/cmd.exe exited; CPU time 20028.046875
02:09:33 (16592): 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: 221147287 bytes.
Dumping objects ->
{3835276} normal block at 0x000001E7E7A107D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835265} normal block at 0x000001E7E7A11480, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835254} normal block at 0x000001E7E7A11250, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835243} normal block at 0x000001E7E7A11410, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835232} normal block at 0x000001E7E7A10840, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835201} normal block at 0x000001E7E7B0B0D0, 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) : {3835188} normal block at 0x000001E7E5EB6FA0, 8 bytes long.
Data: < ¢çç > 00 00 A2 E7 E7 01 00 00
{3833947} normal block at 0x000001E7E5EB6CD0, 8 bytes long.
Data: <Pjºçç > 50 6A BA E7 E7 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001E7E5EC11C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E7E5EAAB60, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x000001E7E5EC2480, 16 bytes long.
Data: <ø7ìåç > F8 37 EC E5 E7 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E7E5EC2930, 16 bytes long.
Data: <Ð7ìåç > D0 37 EC E5 E7 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E7E5EBCDB0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x000001E7E5EC2A70, 16 bytes long.
Data: <¨7ìåç > A8 37 EC E5 E7 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E7E5EC24D0, 16 bytes long.
Data: < 7ìåç > 80 37 EC E5 E7 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E7E5EC2700, 16 bytes long.
Data: <X7ìåç > 58 37 EC E5 E7 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E7E5EC2430, 16 bytes long.
Data: <07ìåç > 30 37 EC E5 E7 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E7E5EBB550, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x000001E7E5EC2390, 16 bytes long.
Data: < Æëåç > 08 C6 EB E5 E7 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E7E5EBCAB0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x000001E7E5EC25C0, 16 bytes long.
Data: <àÅëåç > E0 C5 EB E5 E7 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E7E5EC2B10, 16 bytes long.
Data: <¸Åëåç > B8 C5 EB E5 E7 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E7E5EC2890, 16 bytes long.
Data: < Åëåç > 90 C5 EB E5 E7 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E7E5EC29D0, 16 bytes long.
Data: <hÅëåç > 68 C5 EB E5 E7 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001E7E5EC2340, 16 bytes long.
Data: <@Åëåç > 40 C5 EB E5 E7 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E7E5EC2160, 16 bytes long.
Data: < Åëåç > 18 C5 EB E5 E7 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E7E5EBCF30, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x000001E7E5EC2570, 16 bytes long.
Data: <ðÄëåç > F0 C4 EB E5 E7 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E7E5EBC4F0, 320 bytes long.
Data: <p%ìåç 0Ïëåç > 70 25 EC E5 E7 01 00 00 30 CF EB E5 E7 01 00 00
{269} normal block at 0x000001E7E5EC3060, 16 bytes long.
Data: < 7ìåç > 10 37 EC E5 E7 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E7E5EC2C50, 16 bytes long.
Data: <è6ìåç > E8 36 EC E5 E7 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E7E5EBCD50, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x000001E7E5EC2520, 16 bytes long.
Data: <À6ìåç > C0 36 EC E5 E7 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E7E5EBC9F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x000001E7E5EC2110, 16 bytes long.
Data: < 6ìåç > 08 36 EC E5 E7 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001E7E5EC3010, 16 bytes long.
Data: <à5ìåç > E0 35 EC E5 E7 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E7E5EC2F20, 16 bytes long.
Data: <¸5ìåç > B8 35 EC E5 E7 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E7E5EC2ED0, 16 bytes long.
Data: < 5ìåç > 90 35 EC E5 E7 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001E7E5EC2FC0, 16 bytes long.
Data: <h5ìåç > 68 35 EC E5 E7 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001E7E5EC2F70, 16 bytes long.
Data: <@5ìåç > 40 35 EC E5 E7 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001E7E5EC2D40, 16 bytes long.
Data: <@²ëåç > 40 B2 EB E5 E7 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001E7E5EBB240, 40 bytes long.
Data: <@-ìåç а°çç > 40 2D EC E5 E7 01 00 00 D0 B0 B0 E7 E7 01 00 00
{255} normal block at 0x000001E7E5EC22F0, 16 bytes long.
Data: < 5ìåç > 20 35 EC E5 E7 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001E7E5EC2B60, 16 bytes long.
Data: <ø4ìåç > F8 34 EC E5 E7 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001E7E5EBD710, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x000001E7E5EC2E80, 16 bytes long.
Data: <Ð4ìåç > D0 34 EC E5 E7 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001E7E5EC34D0, 992 bytes long.
Data: < .ìåç ×ëåç > 80 2E EC E5 E7 01 00 00 10 D7 EB E5 E7 01 00 00
{87} normal block at 0x000001E7E5EBD5F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x000001E7E5EB7360, 16 bytes long.
Data: <ð·ëåç > F0 B7 EB E5 E7 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000001E7E5EBB7F0, 40 bytes long.
Data: <`sëåç ðÕëåç > 60 73 EB E5 E7 01 00 00 F0 D5 EB E5 E7 01 00 00
{64} normal block at 0x000001E7E5EB6910, 16 bytes long.
Data: < êO ÷ > 80 EA 4F 17 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E7E5EB6AA0, 16 bytes long.
Data: <@éO ÷ > 40 E9 4F 17 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001E7E5EB6960, 16 bytes long.
Data: <øWL ÷ > F8 57 4C 17 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001E7E5EB6640, 16 bytes long.
Data: <ØWL ÷ > D8 57 4C 17 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001E7E5EB6870, 16 bytes long.
Data: <P L ÷ > 50 04 4C 17 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001E7E5EB73B0, 16 bytes long.
Data: <0 L ÷ > 30 04 4C 17 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001E7E5EB7220, 16 bytes long.
Data: <à L ÷ > E0 02 4C 17 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001E7E5EB67D0, 16 bytes long.
Data: < L ÷ > 10 04 4C 17 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001E7E5EB6820, 16 bytes long.
Data: <p L ÷ > 70 04 4C 17 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001E7E5EB6550, 16 bytes long.
Data: < ÀJ ÷ > 18 C0 4A 17 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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