Task 38581855
| Name | PFKFB3_A27_A11_r0_1-QUICO_ATM_GAFF2_LOMAP_PFKFB3-1-5-RND0789_0 |
| Workunit | 31546259 |
| Created | 12 Dec 2025, 16:25:31 UTC |
| Sent | 12 Dec 2025, 16:25:36 UTC |
| Report deadline | 17 Dec 2025, 16:25:36 UTC |
| Received | 13 Dec 2025, 4:47:53 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 632103 |
| Run time | 9 hours 18 min 46 sec |
| CPU time | 9 hours 18 min 46 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 | 771.27 MB |
| Peak swap size | 9.98 GB |
| Peak disk usage | 3.69 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
20:38:31 (8136): wrapper (7.9.26016): starting
20:38:31 (8136): 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
20:38:32 (8136): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:38:32 (8136): 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\1\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\1\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
05:42:25 (8136): C:/Windows/system32/cmd.exe exited; CPU time 33526.953125
05:42:25 (8136): 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: 366873619 bytes.
Dumping objects ->
{3835364} normal block at 0x0000021D8C6E0C30, 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 0x0000021D8C6E11E0, 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 0x0000021D8C6E1330, 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 0x0000021D8C6E0CA0, 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 0x0000021D8C6E08B0, 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 0x0000021D8C79B700, 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 0x0000021D8C7221B0, 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 0x0000021D8AAD7240, 8 bytes long.
Data: < Π> 00 00 90 8C 1D 02 00 00
{3834622} normal block at 0x0000021D8C7222A0, 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 0x0000021D8AAD6B60, 8 bytes long.
Data: < Π> 00 98 88 8C 1D 02 00 00
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x0000021D8AAE12E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x0000021D8AACCB10, 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 0x0000021D8AAE2550, 16 bytes long.
Data: <Ø7®Š > D8 37 AE 8A 1D 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x0000021D8AAE2190, 16 bytes long.
Data: <°7®Š > B0 37 AE 8A 1D 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000021D8AADD1C0, 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 0x0000021D8AAE25F0, 16 bytes long.
Data: < 7®Š > 88 37 AE 8A 1D 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000021D8AAE2CD0, 16 bytes long.
Data: <`7®Š > 60 37 AE 8A 1D 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000021D8AAE2C30, 16 bytes long.
Data: <87®Š > 38 37 AE 8A 1D 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000021D8AAE20F0, 16 bytes long.
Data: < 7®Š > 10 37 AE 8A 1D 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000021D8AADB540, 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 0x0000021D8AAE2E60, 16 bytes long.
Data: <¸^¬Š > B8 5E AC 8A 1D 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000021D8AADDBE0, 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 0x0000021D8AAE2B40, 16 bytes long.
Data: < ^¬Š > 90 5E AC 8A 1D 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000021D8AAE2AF0, 16 bytes long.
Data: <h^¬Š > 68 5E AC 8A 1D 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000021D8AAE2FA0, 16 bytes long.
Data: <@^¬Š > 40 5E AC 8A 1D 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000021D8AAE24B0, 16 bytes long.
Data: < ^¬Š > 18 5E AC 8A 1D 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000021D8AAE2E10, 16 bytes long.
Data: <ð]¬Š > F0 5D AC 8A 1D 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000021D8AAE2AA0, 16 bytes long.
Data: <È]¬Š > C8 5D AC 8A 1D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000021D8AADDB20, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{286} normal block at 0x0000021D8AAE2F50, 16 bytes long.
Data: < ]¬Š > A0 5D AC 8A 1D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000021D8AAC5DA0, 320 bytes long.
Data: <P/®Š Û­Š > 50 2F AE 8A 1D 02 00 00 20 DB AD 8A 1D 02 00 00
{284} normal block at 0x0000021D8AAE2410, 16 bytes long.
Data: <ð6®Š > F0 36 AE 8A 1D 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000021D8AAE2BE0, 16 bytes long.
Data: <È6®Š > C8 36 AE 8A 1D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000021D8AADCE00, 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 0x0000021D8AAE2EB0, 16 bytes long.
Data: < 6®Š > A0 36 AE 8A 1D 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000021D8AADD7C0, 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 0x0000021D8AAE2460, 16 bytes long.
Data: <è5®Š > E8 35 AE 8A 1D 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000021D8AAE29B0, 16 bytes long.
Data: <À5®Š > C0 35 AE 8A 1D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000021D8AAE2B90, 16 bytes long.
Data: < 5®Š > 98 35 AE 8A 1D 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000021D8AAE23C0, 16 bytes long.
Data: <p5®Š > 70 35 AE 8A 1D 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000021D8AAE21E0, 16 bytes long.
Data: <H5®Š > 48 35 AE 8A 1D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000021D8AAE2A50, 16 bytes long.
Data: < 5®Š > 20 35 AE 8A 1D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000021D8AAE2960, 16 bytes long.
Data: < º­Š > 80 BA AD 8A 1D 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000021D8AADBA80, 40 bytes long.
Data: <`)®Š ·yŒ > 60 29 AE 8A 1D 02 00 00 00 B7 79 8C 1D 02 00 00
{270} normal block at 0x0000021D8AAE28C0, 16 bytes long.
Data: < 5®Š > 00 35 AE 8A 1D 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000021D8AAE2370, 16 bytes long.
Data: <Ø4®Š > D8 34 AE 8A 1D 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000021D8AADCF20, 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 0x0000021D8AAE2870, 16 bytes long.
Data: <°4®Š > B0 34 AE 8A 1D 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000021D8AAE34B0, 992 bytes long.
Data: <p(®Š Ï­Š > 70 28 AE 8A 1D 02 00 00 20 CF AD 8A 1D 02 00 00
{102} normal block at 0x0000021D8AADD400, 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 0x0000021D8AAD6B10, 16 bytes long.
Data: < ¹­Š > A0 B9 AD 8A 1D 02 00 00 00 00 00 00 00 00 00 00
{100} normal block at 0x0000021D8AADB9A0, 40 bytes long.
Data: < k­Š Ô­Š > 10 6B AD 8A 1D 02 00 00 00 D4 AD 8A 1D 02 00 00
{79} normal block at 0x0000021D8AAD6F20, 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 0x0000021D8AAD6D40, 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 0x0000021D8AAD6980, 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 0x0000021D8AAD7380, 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 0x0000021D8AAD67A0, 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 0x0000021D8AAD6CF0, 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 0x0000021D8AAD7330, 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 0x0000021D8AAD6610, 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 0x0000021D8AAD7470, 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 0x0000021D8AAD72E0, 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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