Task 38609507
| Name | p38_A27_A32_r0_3-QUICO_ATM_OpenFF_p38-1-6-RND6419_0 |
| Workunit | 31562551 |
| Created | 15 Apr 2026, 0:12:44 UTC |
| Sent | 15 Apr 2026, 0:12:55 UTC |
| Report deadline | 20 Apr 2026, 0:12:55 UTC |
| Received | 15 Apr 2026, 22:13:16 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 605003 |
| Run time | 4 hours 32 min |
| CPU time | 4 hours 32 min |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 50,489.32 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 674.87 MB |
| Peak swap size | 13.05 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
18:45:02 (40428): wrapper (7.9.26016): starting
18:45:02 (40428): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A32_0.pdb
QB_A27_A32_0.xml
QB_A27_A32.inpcrd
QB_A27_A32_input.yaml
QB_A27_A32.pdb
QB_A27_A32.prmtop
QB_A27_A32_sys.xml
run.bat
run.sh
18:45:03 (40428): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:45:03 (40428): 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:\Boinc\005\slots\3\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:\Boinc\005\slots\3\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
00:08:51 (40428): C:/Windows/system32/cmd.exe exited; CPU time 16320.843750
00:08:51 (40428): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 bytes in 8 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 602176863 bytes.
Dumping objects ->
{3835647} normal block at 0x000001FEBA5A6A90, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835636} normal block at 0x000001FEBC2939E0, 32 bytes long.
Data: <HOME=c:\boinc\00> 48 4F 4D 45 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835625} normal block at 0x000001FEBC2937A0, 32 bytes long.
Data: <TMP=c:\boinc\005> 54 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 35
{3835614} normal block at 0x000001FEBC292B40, 32 bytes long.
Data: <TEMP=c:\boinc\00> 54 45 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835603} normal block at 0x000001FEBC292EA0, 32 bytes long.
Data: <TMPDIR=c:\boinc\> 54 4D 50 44 49 52 3D 63 3A 5C 62 6F 69 6E 63 5C
{3835572} normal block at 0x000001FEBA5A6A20, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835561} normal block at 0x000001FEBA5FEB50, 140 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) : {3835558} normal block at 0x000001FEBA59DD40, 8 bytes long.
Data: < Wºþ > 00 00 57 BA FE 01 00 00
{3834731} normal block at 0x000001FEBA5FEF60, 140 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 0x000001FEBA59D070, 8 bytes long.
Data: <p×Xºþ > 70 D7 58 BA FE 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001FEBA5911A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001FEBA592310, 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 0x000001FEBA5A7960, 16 bytes long.
Data: <è‚Zºþ > E8 82 5A BA FE 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001FEBA5A7140, 16 bytes long.
Data: <À‚Zºþ > C0 82 5A BA FE 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001FEBA5A0C20, 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 0x000001FEBA5A7820, 16 bytes long.
Data: < ‚Zºþ > 98 82 5A BA FE 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001FEBA5A7C30, 16 bytes long.
Data: <p‚Zºþ > 70 82 5A BA FE 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001FEBA5A7690, 16 bytes long.
Data: <H‚Zºþ > 48 82 5A BA FE 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001FEBA5A7870, 16 bytes long.
Data: < ‚Zºþ > 20 82 5A BA FE 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001FEBA5A6D30, 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 0x000001FEBA5A7A00, 16 bytes long.
Data: <ÈòXºþ > C8 F2 58 BA FE 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FEBA5A0F80, 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 0x000001FEBA5A7640, 16 bytes long.
Data: < òXºþ > A0 F2 58 BA FE 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FEBA5A75F0, 16 bytes long.
Data: <xòXºþ > 78 F2 58 BA FE 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001FEBA5A7CD0, 16 bytes long.
Data: <PòXºþ > 50 F2 58 BA FE 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FEBA5A7B40, 16 bytes long.
Data: <(òXºþ > 28 F2 58 BA FE 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001FEBA5A7500, 16 bytes long.
Data: < òXºþ > 00 F2 58 BA FE 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FEBA5A7910, 16 bytes long.
Data: <ØñXºþ > D8 F1 58 BA FE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FEBA5A11C0, 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 0x000001FEBA5A7D20, 16 bytes long.
Data: <°ñXºþ > B0 F1 58 BA FE 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FEBA58F1B0, 320 bytes long.
Data: < }Zºþ À Zºþ > 20 7D 5A BA FE 01 00 00 C0 11 5A BA FE 01 00 00
{279} normal block at 0x000001FEBA5A7F50, 16 bytes long.
Data: < ‚Zºþ > 00 82 5A BA FE 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001FEBA5A75A0, 16 bytes long.
Data: <Ø Zºþ > D8 81 5A BA FE 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FEBA5A1760, 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 0x000001FEBA5A7190, 16 bytes long.
Data: <° Zºþ > B0 81 5A BA FE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FEBA5A0B00, 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 0x000001FEBA5A7AF0, 16 bytes long.
Data: <ø Zºþ > F8 80 5A BA FE 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FEBA5A7AA0, 16 bytes long.
Data: <Ð Zºþ > D0 80 5A BA FE 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FEBA5A7F00, 16 bytes long.
Data: <¨ Zºþ > A8 80 5A BA FE 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001FEBA5A7B90, 16 bytes long.
Data: < Zºþ > 80 80 5A BA FE 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FEBA5A74B0, 16 bytes long.
Data: <X Zºþ > 58 80 5A BA FE 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FEBA5A7A50, 16 bytes long.
Data: <0 Zºþ > 30 80 5A BA FE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FEBA5A7000, 16 bytes long.
Data: <ÀlZºþ > C0 6C 5A BA FE 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FEBA5A6CC0, 40 bytes long.
Data: < pZºþ jZºþ > 00 70 5A BA FE 01 00 00 20 6A 5A BA FE 01 00 00
{265} normal block at 0x000001FEBA5A7370, 16 bytes long.
Data: < Zºþ > 10 80 5A BA FE 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FEBA5A78C0, 16 bytes long.
Data: <è Zºþ > E8 7F 5A BA FE 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FEBA5A0B60, 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 0x000001FEBA5A7E60, 16 bytes long.
Data: <À Zºþ > C0 7F 5A BA FE 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FEBA5A7FC0, 992 bytes long.
Data: <`~Zºþ ` Zºþ > 60 7E 5A BA FE 01 00 00 60 0B 5A BA FE 01 00 00
{97} normal block at 0x000001FEBA5A1640, 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 0x000001FEBA59DCF0, 16 bytes long.
Data: < ÁXºþ > 80 C1 58 BA FE 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001FEBA58C180, 40 bytes long.
Data: <ðÜYºþ @ Zºþ > F0 DC 59 BA FE 01 00 00 40 16 5A BA FE 01 00 00
{74} normal block at 0x000001FEBA59DCA0, 16 bytes long.
Data: < ê¬A÷ > 80 EA AC 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001FEBA59DC00, 16 bytes long.
Data: <@é¬A÷ > 40 E9 AC 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001FEBA59D980, 16 bytes long.
Data: <øW©A÷ > F8 57 A9 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001FEBA59D930, 16 bytes long.
Data: <ØW©A÷ > D8 57 A9 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001FEBA59D8E0, 16 bytes long.
Data: <P ©A÷ > 50 04 A9 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001FEBA59D3E0, 16 bytes long.
Data: <0 ©A÷ > 30 04 A9 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FEBA59D480, 16 bytes long.
Data: <à ©A÷ > E0 02 A9 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FEBA59DB60, 16 bytes long.
Data: < ©A÷ > 10 04 A9 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FEBA59D700, 16 bytes long.
Data: <p ©A÷ > 70 04 A9 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FEBA59DBB0, 16 bytes long.
Data: < À§A÷ > 18 C0 A7 41 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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