Task 38581210
| Name | PFKFB3_A27_A11_r0_1-QUICO_ATM_GAFF2_LOMAP_PFKFB3-0-5-RND0789_0 |
| Workunit | 31545736 |
| Created | 12 Dec 2025, 10:39:08 UTC |
| Sent | 12 Dec 2025, 10:39:10 UTC |
| Report deadline | 17 Dec 2025, 10:39:10 UTC |
| Received | 12 Dec 2025, 16:25:18 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 632103 |
| Run time | 5 hours 46 min 8 sec |
| CPU time | 5 hours 49 min 41 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 15,120.34 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 772.65 MB |
| Peak swap size | 10.13 GB |
| Peak disk usage | 3.62 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
11:40:03 (12284): wrapper (7.9.26016): starting
11:40:03 (12284): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A11_0.pdb
QB_A27_A11_0.xml
QB_A27_A11_equil.pdb
QB_A27_A11.inpcrd
QB_A27_A11_input.yaml
QB_A27_A11_mdlambda.pdb
QB_A27_A11_min.pdb
QB_A27_A11_npt.pdb
QB_A27_A11.pdb
QB_A27_A11.prmtop
QB_A27_A11_sys.xml
QB_A27_A11_therm.pdb
run.bat
run.sh
11:40:05 (12284): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:40:05 (12284): 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
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
17:19:32 (12284): C:/Windows/system32/cmd.exe exited; CPU time 20981.828125
17:19:32 (12284): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 bytes in 8 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: 224910767 bytes.
Dumping objects ->
{3835364} normal block at 0x0000025906731410, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835353} normal block at 0x0000025906730F40, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835342} normal block at 0x0000025906730D10, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835331} normal block at 0x0000025906730A70, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835320} normal block at 0x0000025906731560, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835289} normal block at 0x000002590685AF50, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835278} normal block at 0x00000259068E6DC0, 180 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) : {3835275} normal block at 0x0000025904B588D0, 8 bytes long.
Data: < ± Y > 00 00 B1 04 59 02 00 00
{3834622} normal block at 0x00000259068E6AF0, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833977} normal block at 0x0000025904B58A10, 8 bytes long.
Data: <ðë³ Y > F0 EB B3 04 59 02 00 00
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x0000025904B56D50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x0000025904B39450, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{304} normal block at 0x0000025904B581F0, 16 bytes long.
Data: < µ Y > 88 8F B5 04 59 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x0000025904B57F20, 16 bytes long.
Data: <` µ Y > 60 8F B5 04 59 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000025904B52670, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{301} normal block at 0x0000025904B58240, 16 bytes long.
Data: <8 µ Y > 38 8F B5 04 59 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000025904B57ED0, 16 bytes long.
Data: < µ Y > 10 8F B5 04 59 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000025904B58510, 16 bytes long.
Data: <莵 Y > E8 8E B5 04 59 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000025904B57E80, 16 bytes long.
Data: <ÀŽµ Y > C0 8E B5 04 59 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000025904B502C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{296} normal block at 0x0000025904B57DE0, 16 bytes long.
Data: <蓳 Y > E8 93 B3 04 59 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000025904B51E90, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{294} normal block at 0x0000025904B58B00, 16 bytes long.
Data: <À“³ Y > C0 93 B3 04 59 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000025904B589C0, 16 bytes long.
Data: < “³ Y > 98 93 B3 04 59 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000025904B57E30, 16 bytes long.
Data: <p“³ Y > 70 93 B3 04 59 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000025904B58BF0, 16 bytes long.
Data: <H“³ Y > 48 93 B3 04 59 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000025904B58880, 16 bytes long.
Data: < “³ Y > 20 93 B3 04 59 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000025904B58AB0, 16 bytes long.
Data: <ø’³ Y > F8 92 B3 04 59 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000025904B522B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{286} normal block at 0x0000025904B58150, 16 bytes long.
Data: <Ð’³ Y > D0 92 B3 04 59 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000025904B392D0, 320 bytes long.
Data: <P µ Y °"µ Y > 50 81 B5 04 59 02 00 00 B0 22 B5 04 59 02 00 00
{284} normal block at 0x0000025904B57D40, 16 bytes long.
Data: < Žµ Y > A0 8E B5 04 59 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000025904B58A60, 16 bytes long.
Data: <xŽµ Y > 78 8E B5 04 59 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000025904B52430, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{281} normal block at 0x0000025904B58010, 16 bytes long.
Data: <PŽµ Y > 50 8E B5 04 59 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000025904B51B90, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{279} normal block at 0x0000025904B58830, 16 bytes long.
Data: < µ Y > 98 8D B5 04 59 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000025904B58060, 16 bytes long.
Data: <p µ Y > 70 8D B5 04 59 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000025904B58BA0, 16 bytes long.
Data: <H µ Y > 48 8D B5 04 59 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000025904B58970, 16 bytes long.
Data: < µ Y > 20 8D B5 04 59 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000025904B586A0, 16 bytes long.
Data: <øŒµ Y > F8 8C B5 04 59 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000025904B58290, 16 bytes long.
Data: <ÐŒµ Y > D0 8C B5 04 59 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000025904B58920, 16 bytes long.
Data: <0 µ Y > 30 03 B5 04 59 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000025904B50330, 40 bytes long.
Data: < ‰µ Y P¯… Y > 20 89 B5 04 59 02 00 00 50 AF 85 06 59 02 00 00
{270} normal block at 0x0000025904B58650, 16 bytes long.
Data: <°Œµ Y > B0 8C B5 04 59 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000025904B584C0, 16 bytes long.
Data: < ε Y > 88 8C B5 04 59 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000025904B51B30, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{267} normal block at 0x0000025904B58600, 16 bytes long.
Data: <`ε Y > 60 8C B5 04 59 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000025904B58C60, 992 bytes long.
Data: < †µ Y 0 µ Y > 00 86 B5 04 59 02 00 00 30 1B B5 04 59 02 00 00
{102} normal block at 0x0000025904B518F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{101} normal block at 0x0000025904B4ADC0, 16 bytes long.
Data: <p µ Y > 70 01 B5 04 59 02 00 00 00 00 00 00 00 00 00 00
{100} normal block at 0x0000025904B50170, 40 bytes long.
Data: <À­´ Y ð µ Y > C0 AD B4 04 59 02 00 00 F0 18 B5 04 59 02 00 00
{79} normal block at 0x0000025904B4A8C0, 16 bytes long.
Data: < ê ¥ö > 80 EA 1F A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x0000025904B4A870, 16 bytes long.
Data: <@é ¥ö > 40 E9 1F A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x0000025904B4A820, 16 bytes long.
Data: <øW ¥ö > F8 57 1C A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000025904B4AB40, 16 bytes long.
Data: <ØW ¥ö > D8 57 1C A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000025904B4AAF0, 16 bytes long.
Data: <P ¥ö > 50 04 1C A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000025904B4AA50, 16 bytes long.
Data: <0 ¥ö > 30 04 1C A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000025904B4B2C0, 16 bytes long.
Data: <à ¥ö > E0 02 1C A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000025904B4AE10, 16 bytes long.
Data: < ¥ö > 10 04 1C A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000025904B4B130, 16 bytes long.
Data: <p ¥ö > 70 04 1C A5 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000025904B4A5F0, 16 bytes long.
Data: < À ¥ö > 18 C0 1A A5 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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