Task 38582224
| Name | PFKFB3_A25_A05_r0_1-QUICO_ATM_GAFF2_LOMAP_PFKFB3-1-5-RND3867_0 |
| Workunit | 31546567 |
| Created | 12 Dec 2025, 23:39:29 UTC |
| Sent | 12 Dec 2025, 23:39:39 UTC |
| Report deadline | 17 Dec 2025, 23:39:39 UTC |
| Received | 13 Dec 2025, 9:00:46 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630720 |
| Run time | 6 hours 51 min 47 sec |
| CPU time | 6 hours 50 min 12 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 15,216.55 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 757.50 MB |
| Peak swap size | 6.22 GB |
| Peak disk usage | 3.69 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
09:58:46 (27880): wrapper (7.9.26016): starting
09:58:46 (27880): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A25_A05_0.pdb
QB_A25_A05_0.xml
QB_A25_A05_equil.pdb
QB_A25_A05.inpcrd
QB_A25_A05_input.yaml
QB_A25_A05_mdlambda.pdb
QB_A25_A05_min.pdb
QB_A25_A05_npt.pdb
QB_A25_A05.pdb
QB_A25_A05.prmtop
QB_A25_A05_sys.xml
QB_A25_A05_therm.pdb
run.bat
run.sh
09:58:48 (27880): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:58:48 (27880): 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\11\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\11\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
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
16:50:49 (27880): C:/Windows/system32/cmd.exe exited; CPU time 24612.781250
16:50:49 (27880): called boinc_finish(0)
0 bytes in 0 Free Blocks.
534 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: 640478519 bytes.
Dumping objects ->
{3835220} normal block at 0x000001B47B0C49F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835209} normal block at 0x000001B47B0C4BB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835198} normal block at 0x000001B47B0C4750, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835187} normal block at 0x000001B47B0C4B40, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835176} normal block at 0x000001B47B0C46E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835145} normal block at 0x000001B47CE19C80, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835134} normal block at 0x000001B47B129200, 139 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) : {3835131} normal block at 0x000001B47B0BD420, 8 bytes long.
Data: < p{´ > 00 00 70 7B B4 01 00 00
{3834538} normal block at 0x000001B47B129610, 139 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 0x000001B47B0BDA60, 8 bytes long.
Data: <À {´ > C0 8F 0E 7B B4 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001B47B0B0CA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001B47B0B20C0, 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 0x000001B47B0C5DC0, 16 bytes long.
Data: <he {´ > 68 65 0C 7B B4 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001B47B0C5960, 16 bytes long.
Data: <@e {´ > 40 65 0C 7B B4 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001B47B0C12F0, 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 0x000001B47B0C5730, 16 bytes long.
Data: < e {´ > 18 65 0C 7B B4 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001B47B0C5780, 16 bytes long.
Data: <ðd {´ > F0 64 0C 7B B4 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B47B0C54B0, 16 bytes long.
Data: <Èd {´ > C8 64 0C 7B B4 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B47B0C5280, 16 bytes long.
Data: < d {´ > A0 64 0C 7B B4 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B47B0C4830, 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 0x000001B47B0C5690, 16 bytes long.
Data: < ÷ {´ > 08 F7 0A 7B B4 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B47B0C1050, 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 0x000001B47B0C52D0, 16 bytes long.
Data: <àö {´ > E0 F6 0A 7B B4 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B47B0C5E60, 16 bytes long.
Data: <¸ö {´ > B8 F6 0A 7B B4 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B47B0C5BE0, 16 bytes long.
Data: < ö {´ > 90 F6 0A 7B B4 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B47B0C5910, 16 bytes long.
Data: <hö {´ > 68 F6 0A 7B B4 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B47B0C55F0, 16 bytes long.
Data: <@ö {´ > 40 F6 0A 7B B4 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B47B0C5550, 16 bytes long.
Data: < ö {´ > 18 F6 0A 7B B4 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B47B0C0C30, 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 0x000001B47B0C5500, 16 bytes long.
Data: <ðõ {´ > F0 F5 0A 7B B4 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B47B0AF5F0, 320 bytes long.
Data: < U {´ 0 {´ > 00 55 0C 7B B4 01 00 00 30 0C 0C 7B B4 01 00 00
{275} normal block at 0x000001B47B0C5F00, 16 bytes long.
Data: < d {´ > 80 64 0C 7B B4 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B47B0C5B90, 16 bytes long.
Data: <Xd {´ > 58 64 0C 7B B4 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B47B0C1470, 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 0x000001B47B0C6040, 16 bytes long.
Data: <0d {´ > 30 64 0C 7B B4 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B47B0C1170, 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 0x000001B47B0C58C0, 16 bytes long.
Data: <xc {´ > 78 63 0C 7B B4 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B47B0C5640, 16 bytes long.
Data: <Pc {´ > 50 63 0C 7B B4 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B47B0C57D0, 16 bytes long.
Data: <(c {´ > 28 63 0C 7B B4 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B47B0C5A50, 16 bytes long.
Data: < c {´ > 00 63 0C 7B B4 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B47B0C5410, 16 bytes long.
Data: <Øb {´ > D8 62 0C 7B B4 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B47B0C5320, 16 bytes long.
Data: <°b {´ > B0 62 0C 7B B4 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001B47B0C5F50, 16 bytes long.
Data: < H {´ > A0 48 0C 7B B4 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001B47B0C48A0, 40 bytes long.
Data: <P_ {´ œá|´ > 50 5F 0C 7B B4 01 00 00 80 9C E1 7C B4 01 00 00
{261} normal block at 0x000001B47B0C5D20, 16 bytes long.
Data: < b {´ > 90 62 0C 7B B4 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001B47B0C6130, 16 bytes long.
Data: <hb {´ > 68 62 0C 7B B4 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001B47B0C13B0, 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 0x000001B47B0C60E0, 16 bytes long.
Data: <@b {´ > 40 62 0C 7B B4 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001B47B0C6240, 992 bytes long.
Data: <à` {´ ° {´ > E0 60 0C 7B B4 01 00 00 B0 13 0C 7B B4 01 00 00
{93} normal block at 0x000001B47B0C0F30, 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 0x000001B47B0BD650, 16 bytes long.
Data: < à {´ > A0 E0 0A 7B B4 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001B47B0AE0A0, 40 bytes long.
Data: <PÖ {´ 0 {´ > 50 D6 0B 7B B4 01 00 00 30 0F 0C 7B B4 01 00 00
{70} normal block at 0x000001B47B0BDC90, 16 bytes long.
Data: < ê $÷ > 80 EA 06 24 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001B47B0BDCE0, 16 bytes long.
Data: <@é $÷ > 40 E9 06 24 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001B47B0BD8D0, 16 bytes long.
Data: <øW $÷ > F8 57 03 24 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B47B0BD600, 16 bytes long.
Data: <ØW $÷ > D8 57 03 24 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B47B0BD380, 16 bytes long.
Data: <P $÷ > 50 04 03 24 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B47B0BD470, 16 bytes long.
Data: <0 $÷ > 30 04 03 24 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001B47B0BD6F0, 16 bytes long.
Data: <à $÷ > E0 02 03 24 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001B47B0BD0B0, 16 bytes long.
Data: < $÷ > 10 04 03 24 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001B47B0BCFC0, 16 bytes long.
Data: <p $÷ > 70 04 03 24 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001B47B0BD100, 16 bytes long.
Data: < À $÷ > 18 C0 01 24 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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