Task 38598410
| Name | PTP1B_A01_A03_r0_1-QUICO_ATM_GAFF2_NAGL_PTP1B-0-6-RND5995_4 |
| Workunit | 31553404 |
| Created | 8 Apr 2026, 9:43:45 UTC |
| Sent | 8 Apr 2026, 9:44:07 UTC |
| Report deadline | 13 Apr 2026, 9:44:07 UTC |
| Received | 9 Apr 2026, 12:21:53 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 551802 |
| Run time | 8 hours 42 min 20 sec |
| CPU time | 8 hours 42 min 20 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 36,131.35 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 609.27 MB |
| Peak swap size | 14.24 GB |
| Peak disk usage | 2.95 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
20:52:41 (24484): wrapper (7.9.26016): starting
20:52:41 (24484): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A01_A03_0.pdb
QB_A01_A03_0.xml
QB_A01_A03.inpcrd
QB_A01_A03_input.yaml
QB_A01_A03.pdb
QB_A01_A03.prmtop
QB_A01_A03_sys.xml
run.bat
run.sh
20:52:46 (24484): Library/usr/bin/tar.exe exited; CPU time 0.046875
20:52:46 (24484): 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
05:16:12 (24484): C:/Windows/system32/cmd.exe exited; CPU time 31340.187500
05:16:12 (24484): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 473402543 bytes.
Dumping objects ->
{3835251} normal block at 0x000001F8B24E6B70, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835240} normal block at 0x000001F8B24E68D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835229} normal block at 0x000001F8B24E6860, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835218} normal block at 0x000001F8B24E6FD0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835207} normal block at 0x000001F8B24E6940, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835176} normal block at 0x000001F8B42DCD90, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835165} normal block at 0x000001F8B433E5D0, 102 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) : {3835162} normal block at 0x000001F8B24B7140, 8 bytes long.
Data: < G²ø > 00 00 47 B2 F8 01 00 00
{3834552} normal block at 0x000001F8B433DE40, 102 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 0x000001F8B24B7410, 8 bytes long.
Data: <@P<´ø > 40 50 3C B4 F8 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001F8B24C0F70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001F8B24AB690, 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 0x000001F8B24C2AF0, 16 bytes long.
Data: <¸EL²ø > B8 45 4C B2 F8 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F8B24C2870, 16 bytes long.
Data: < EL²ø > 90 45 4C B2 F8 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F8B24BBD80, 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 0x000001F8B24C2AA0, 16 bytes long.
Data: <hEL²ø > 68 45 4C B2 F8 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F8B24C2A00, 16 bytes long.
Data: <@EL²ø > 40 45 4C B2 F8 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F8B24C2460, 16 bytes long.
Data: < EL²ø > 18 45 4C B2 F8 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F8B24C20A0, 16 bytes long.
Data: <ðDL²ø > F0 44 4C B2 F8 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F8B24BE600, 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 0x000001F8B24C29B0, 16 bytes long.
Data: <XcJ²ø > 58 63 4A B2 F8 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F8B24BBD20, 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 0x000001F8B24C2050, 16 bytes long.
Data: <0cJ²ø > 30 63 4A B2 F8 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F8B24C2690, 16 bytes long.
Data: < cJ²ø > 08 63 4A B2 F8 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F8B24C2CD0, 16 bytes long.
Data: <àbJ²ø > E0 62 4A B2 F8 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F8B24C2640, 16 bytes long.
Data: <¸bJ²ø > B8 62 4A B2 F8 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F8B24C2000, 16 bytes long.
Data: < bJ²ø > 90 62 4A B2 F8 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F8B24C25F0, 16 bytes long.
Data: <hbJ²ø > 68 62 4A B2 F8 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F8B24BC560, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{277} normal block at 0x000001F8B24C1EC0, 16 bytes long.
Data: <@bJ²ø > 40 62 4A B2 F8 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F8B24A6240, 320 bytes long.
Data: <À L²ø `ÅK²ø > C0 1E 4C B2 F8 01 00 00 60 C5 4B B2 F8 01 00 00
{275} normal block at 0x000001F8B24C2C80, 16 bytes long.
Data: <ÐDL²ø > D0 44 4C B2 F8 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F8B24C2D20, 16 bytes long.
Data: <¨DL²ø > A8 44 4C B2 F8 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F8B24BC5C0, 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 0x000001F8B24C2960, 16 bytes long.
Data: < DL²ø > 80 44 4C B2 F8 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F8B24BC500, 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 0x000001F8B24C2410, 16 bytes long.
Data: <ÈCL²ø > C8 43 4C B2 F8 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F8B24C2C30, 16 bytes long.
Data: < CL²ø > A0 43 4C B2 F8 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F8B24C2280, 16 bytes long.
Data: <xCL²ø > 78 43 4C B2 F8 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F8B24C2230, 16 bytes long.
Data: <PCL²ø > 50 43 4C B2 F8 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F8B24C21E0, 16 bytes long.
Data: <(CL²ø > 28 43 4C B2 F8 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F8B24C27D0, 16 bytes long.
Data: < CL²ø > 00 43 4C B2 F8 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F8B24C1FB0, 16 bytes long.
Data: < åK²ø > 90 E5 4B B2 F8 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F8B24BE590, 40 bytes long.
Data: <° L²ø Í-´ø > B0 1F 4C B2 F8 01 00 00 90 CD 2D B4 F8 01 00 00
{261} normal block at 0x000001F8B24C1F60, 16 bytes long.
Data: <àBL²ø > E0 42 4C B2 F8 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F8B24C2BE0, 16 bytes long.
Data: <¸BL²ø > B8 42 4C B2 F8 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F8B24BBF00, 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 0x000001F8B24C25A0, 16 bytes long.
Data: < BL²ø > 90 42 4C B2 F8 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001F8B24C4290, 992 bytes long.
Data: < %L²ø ¿K²ø > A0 25 4C B2 F8 01 00 00 00 BF 4B B2 F8 01 00 00
{93} normal block at 0x000001F8B24BC9E0, 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 0x000001F8B24B76E0, 16 bytes long.
Data: < åK²ø > 20 E5 4B B2 F8 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001F8B24BE520, 40 bytes long.
Data: <àvK²ø àÉK²ø > E0 76 4B B2 F8 01 00 00 E0 C9 4B B2 F8 01 00 00
{70} normal block at 0x000001F8B24B7000, 16 bytes long.
Data: < ê ìö > 80 EA 81 EC F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F8B24B6FB0, 16 bytes long.
Data: <@é ìö > 40 E9 81 EC F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F8B24B77D0, 16 bytes long.
Data: <øW~ìö > F8 57 7E EC F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F8B24B79B0, 16 bytes long.
Data: <ØW~ìö > D8 57 7E EC F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F8B24B7AA0, 16 bytes long.
Data: <P ~ìö > 50 04 7E EC F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F8B24B7640, 16 bytes long.
Data: <0 ~ìö > 30 04 7E EC F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F8B24B7B90, 16 bytes long.
Data: <à ~ìö > E0 02 7E EC F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F8B24B7370, 16 bytes long.
Data: < ~ìö > 10 04 7E EC F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F8B24B7230, 16 bytes long.
Data: <p ~ìö > 70 04 7E EC F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001F8B24B6F10, 16 bytes long.
Data: < À|ìö > 18 C0 7C EC F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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