Task 38583526
| Name | PFKFB3_A28_A32_r0_2-QUICO_ATM_GAFF2_LOMAP_PFKFB3-2-5-RND5264_3 |
| Workunit | 31547469 |
| Created | 14 Dec 2025, 7:52:45 UTC |
| Sent | 14 Dec 2025, 7:52:48 UTC |
| Report deadline | 19 Dec 2025, 7:52:48 UTC |
| Received | 14 Dec 2025, 20:45:00 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 625157 |
| Run time | 12 hours 43 min 56 sec |
| CPU time | 12 hours 43 min 40 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 9,338.05 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 803.25 MB |
| Peak swap size | 13.01 GB |
| Peak disk usage | 4.05 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
08:54:32 (24456): wrapper (7.9.26016): starting
08:54:32 (24456): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A28_A32_0.pdb
QB_A28_A32_0.xml
QB_A28_A32_equil.pdb
QB_A28_A32.inpcrd
QB_A28_A32_input.yaml
QB_A28_A32_mdlambda.pdb
QB_A28_A32_min.pdb
QB_A28_A32_npt.pdb
QB_A28_A32.pdb
QB_A28_A32.prmtop
QB_A28_A32_sys.xml
QB_A28_A32_therm.pdb
run.bat
run.sh
08:54:34 (24456): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:54:34 (24456): 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 'L:\BOINCProjects\slots\15\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 'L:\BOINCProjects\slots\15\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
21:38:54 (24456): C:/Windows/system32/cmd.exe exited; CPU time 45820.187500
21:38:54 (24456): called boinc_finish(0)
0 bytes in 0 Free Blocks.
192 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: 982328281 bytes.
Dumping objects ->
{3835259} normal block at 0x00000292CAF66DA0, 48 bytes long.
Data: <PATH=L:\BOINCPro> 50 41 54 48 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F
{3835248} normal block at 0x00000292CCDB8390, 32 bytes long.
Data: <HOME=L:\BOINCPro> 48 4F 4D 45 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F
{3835237} normal block at 0x00000292CCDB7F10, 32 bytes long.
Data: <TMP=L:\BOINCProj> 54 4D 50 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F 6A
{3835226} normal block at 0x00000292CCDB7730, 32 bytes long.
Data: <TEMP=L:\BOINCPro> 54 45 4D 50 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F
{3835215} normal block at 0x00000292CAF66CC0, 48 bytes long.
Data: <TMPDIR=L:\BOINCP> 54 4D 50 44 49 52 3D 4C 3A 5C 42 4F 49 4E 43 50
{3835184} normal block at 0x00000292CAF66BE0, 48 bytes long.
Data: <PATH=L:\BOINCPro> 50 41 54 48 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F
..\api\boinc_api.cpp(309) : {3835171} normal block at 0x00000292CAF5F730, 8 bytes long.
Data: < BË’ > 00 00 42 CB 92 02 00 00
{3833955} normal block at 0x00000292CAF5F000, 8 bytes long.
Data: < êûÊ’ > 10 EA FB CA 92 02 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000292CAF530D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000292CAF53CD0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x00000292CAF67560, 16 bytes long.
Data: <h†öÊ’ > 68 86 F6 CA 92 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000292CAF67BF0, 16 bytes long.
Data: <@†öÊ’ > 40 86 F6 CA 92 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000292CAF63570, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x00000292CAF67510, 16 bytes long.
Data: < †öÊ’ > 18 86 F6 CA 92 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000292CAF68140, 16 bytes long.
Data: <ð…öÊ’ > F0 85 F6 CA 92 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000292CAF67BA0, 16 bytes long.
Data: <È…öÊ’ > C8 85 F6 CA 92 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000292CAF67C40, 16 bytes long.
Data: < …öÊ’ > A0 85 F6 CA 92 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000292CAF66EF0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x00000292CAF68050, 16 bytes long.
Data: <ø õÊ’ > F8 09 F5 CA 92 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000292CAF631B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x00000292CAF67EC0, 16 bytes long.
Data: <Ð õÊ’ > D0 09 F5 CA 92 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000292CAF67470, 16 bytes long.
Data: <¨ õÊ’ > A8 09 F5 CA 92 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000292CAF674C0, 16 bytes long.
Data: < õÊ’ > 80 09 F5 CA 92 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000292CAF673D0, 16 bytes long.
Data: <X õÊ’ > 58 09 F5 CA 92 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000292CAF67B50, 16 bytes long.
Data: <0 õÊ’ > 30 09 F5 CA 92 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000292CAF680A0, 16 bytes long.
Data: < õÊ’ > 08 09 F5 CA 92 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000292CAF62E50, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x00000292CAF680F0, 16 bytes long.
Data: <à õÊ’ > E0 08 F5 CA 92 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000292CAF508E0, 320 bytes long.
Data: <ð öÊ’ P.öÊ’ > F0 80 F6 CA 92 02 00 00 50 2E F6 CA 92 02 00 00
{273} normal block at 0x00000292CAF67A60, 16 bytes long.
Data: < …öÊ’ > 80 85 F6 CA 92 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000292CAF67380, 16 bytes long.
Data: <X…öÊ’ > 58 85 F6 CA 92 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000292CAF63330, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x00000292CAF67E70, 16 bytes long.
Data: <0…öÊ’ > 30 85 F6 CA 92 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000292CAF634B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x00000292CAF67420, 16 bytes long.
Data: <x„öÊ’ > 78 84 F6 CA 92 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000292CAF677E0, 16 bytes long.
Data: <P„öÊ’ > 50 84 F6 CA 92 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000292CAF67970, 16 bytes long.
Data: <(„öÊ’ > 28 84 F6 CA 92 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000292CAF682D0, 16 bytes long.
Data: < „öÊ’ > 00 84 F6 CA 92 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000292CAF67920, 16 bytes long.
Data: <؃öÊ’ > D8 83 F6 CA 92 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000292CAF67D80, 16 bytes long.
Data: <°ƒöÊ’ > B0 83 F6 CA 92 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000292CAF67F10, 16 bytes long.
Data: < nöÊ’ > 10 6E F6 CA 92 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000292CAF66E10, 40 bytes long.
Data: < öÊ’ àköÊ’ > 10 7F F6 CA 92 02 00 00 E0 6B F6 CA 92 02 00 00
{259} normal block at 0x00000292CAF67B00, 16 bytes long.
Data: < ƒöÊ’ > 90 83 F6 CA 92 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000292CAF67AB0, 16 bytes long.
Data: <hƒöÊ’ > 68 83 F6 CA 92 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000292CAF63630, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x00000292CAF67A10, 16 bytes long.
Data: <@ƒöÊ’ > 40 83 F6 CA 92 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000292CAF68340, 992 bytes long.
Data: < zöÊ’ 06öÊ’ > 10 7A F6 CA 92 02 00 00 30 36 F6 CA 92 02 00 00
{91} normal block at 0x00000292CAF63090, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x00000292CAF5FCD0, 16 bytes long.
Data: <PÆôÊ’ > 50 C6 F4 CA 92 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x00000292CAF4C650, 40 bytes long.
Data: <ÐüõÊ’ 0öÊ’ > D0 FC F5 CA 92 02 00 00 90 30 F6 CA 92 02 00 00
{68} normal block at 0x00000292CAF5F5A0, 16 bytes long.
Data: < êžMö > 80 EA 9E 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000292CAF5FBE0, 16 bytes long.
Data: <@éžMö > 40 E9 9E 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000292CAF5FA00, 16 bytes long.
Data: <øW›Mö > F8 57 9B 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000292CAF5FD70, 16 bytes long.
Data: <ØW›Mö > D8 57 9B 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000292CAF5EF10, 16 bytes long.
Data: <P ›Mö > 50 04 9B 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000292CAF5F190, 16 bytes long.
Data: <0 ›Mö > 30 04 9B 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000292CAF5FD20, 16 bytes long.
Data: <à ›Mö > E0 02 9B 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000292CAF5F280, 16 bytes long.
Data: < ›Mö > 10 04 9B 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000292CAF5F910, 16 bytes long.
Data: <p ›Mö > 70 04 9B 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000292CAF5F690, 16 bytes long.
Data: < À Mö > 18 C0 99 4D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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