Task 38609044
| Name | PTP1B_A01_A10_r0_2-QUICO_ATM_GAFF2_NAGL_PTP1B-5-6-RND0710_2 |
| Workunit | 31556414 |
| Created | 14 Apr 2026, 20:34:37 UTC |
| Sent | 14 Apr 2026, 20:34:49 UTC |
| Report deadline | 19 Apr 2026, 20:34:49 UTC |
| Received | 15 Apr 2026, 0:31:17 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 603186 |
| Run time | 3 hours 49 min 32 sec |
| CPU time | 3 hours 31 min |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 24,125.55 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 617.34 MB |
| Peak swap size | 9.73 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
22:42:07 (15336): wrapper (7.9.26016): starting
22:42:07 (15336): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A01_A10_0.pdb
QB_A01_A10_0.xml
QB_A01_A10.inpcrd
QB_A01_A10_input.yaml
QB_A01_A10.pdb
QB_A01_A10.prmtop
QB_A01_A10_sys.xml
run.bat
run.sh
22:42:08 (15336): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:42:08 (15336): 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
02:30:50 (15336): C:/Windows/system32/cmd.exe exited; CPU time 12660.609375
02:30:50 (15336): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 154867313 bytes.
Dumping objects ->
{3835246} normal block at 0x0000015393DE59D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835235} normal block at 0x0000015393DE5B20, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835224} normal block at 0x0000015393DE5960, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835213} normal block at 0x0000015393DE6060, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835202} normal block at 0x0000015393DE5FF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835171} normal block at 0x0000015395BEB200, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835158} normal block at 0x0000015393DDD710, 8 bytes long.
Data: < דS > 00 00 D7 93 53 01 00 00
{3833963} normal block at 0x0000015393DDD120, 8 bytes long.
Data: < ÖÜ“S > 90 D6 DC 93 53 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000015393DD1680, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000015393DCEA80, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x0000015393DE4FA0, 16 bytes long.
Data: <HdÞ“S > 48 64 DE 93 53 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000015393DE4F00, 16 bytes long.
Data: < dÞ“S > 20 64 DE 93 53 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000015393DE13F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x0000015393DE4EB0, 16 bytes long.
Data: <øcÞ“S > F8 63 DE 93 53 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000015393DE4960, 16 bytes long.
Data: <ÐcÞ“S > D0 63 DE 93 53 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000015393DE4870, 16 bytes long.
Data: <¨cÞ“S > A8 63 DE 93 53 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000015393DE4550, 16 bytes long.
Data: < cÞ“S > 80 63 DE 93 53 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000015393DE5E30, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x0000015393DE4820, 16 bytes long.
Data: < Ý“S > 08 14 DD 93 53 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000015393DE1150, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x0000015393DE47D0, 16 bytes long.
Data: <à Ý“S > E0 13 DD 93 53 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000015393DE54A0, 16 bytes long.
Data: <¸ Ý“S > B8 13 DD 93 53 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000015393DE5090, 16 bytes long.
Data: < Ý“S > 90 13 DD 93 53 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000015393DE4910, 16 bytes long.
Data: <h Ý“S > 68 13 DD 93 53 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000015393DE4780, 16 bytes long.
Data: <@ Ý“S > 40 13 DD 93 53 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000015393DE46E0, 16 bytes long.
Data: < Ý“S > 18 13 DD 93 53 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000015393DE1210, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x0000015393DE48C0, 16 bytes long.
Data: <ð Ý“S > F0 12 DD 93 53 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000015393DD12F0, 320 bytes long.
Data: <ÀHÞ“S Þ“S > C0 48 DE 93 53 01 00 00 10 12 DE 93 53 01 00 00
{277} normal block at 0x0000015393DE5360, 16 bytes long.
Data: <`cÞ“S > 60 63 DE 93 53 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000015393DE52C0, 16 bytes long.
Data: <8cÞ“S > 38 63 DE 93 53 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000015393DE0BB0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x0000015393DE4D70, 16 bytes long.
Data: < cÞ“S > 10 63 DE 93 53 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000015393DE1030, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x0000015393DE5040, 16 bytes long.
Data: <XbÞ“S > 58 62 DE 93 53 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000015393DE4CD0, 16 bytes long.
Data: <0bÞ“S > 30 62 DE 93 53 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000015393DE5270, 16 bytes long.
Data: < bÞ“S > 08 62 DE 93 53 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000015393DE5130, 16 bytes long.
Data: <àaÞ“S > E0 61 DE 93 53 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000015393DE4BE0, 16 bytes long.
Data: <¸aÞ“S > B8 61 DE 93 53 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000015393DE45F0, 16 bytes long.
Data: < aÞ“S > 90 61 DE 93 53 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000015393DE51D0, 16 bytes long.
Data: <À]Þ“S > C0 5D DE 93 53 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000015393DE5DC0, 40 bytes long.
Data: <ÐQÞ“S ²¾•S > D0 51 DE 93 53 01 00 00 00 B2 BE 95 53 01 00 00
{263} normal block at 0x0000015393DE4730, 16 bytes long.
Data: <paÞ“S > 70 61 DE 93 53 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000015393DE4B90, 16 bytes long.
Data: <HaÞ“S > 48 61 DE 93 53 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000015393DE0EB0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x0000015393DE4E60, 16 bytes long.
Data: < aÞ“S > 20 61 DE 93 53 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000015393DE6120, 992 bytes long.
Data: <`NÞ“S ° Þ“S > 60 4E DE 93 53 01 00 00 B0 0E DE 93 53 01 00 00
{95} normal block at 0x0000015393DE0D30, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x0000015393DDD7B0, 16 bytes long.
Data: < ÆÜ“S > 00 C6 DC 93 53 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000015393DCC600, 40 bytes long.
Data: <°×Ý“S 0 Þ“S > B0 D7 DD 93 53 01 00 00 30 0D DE 93 53 01 00 00
{72} normal block at 0x0000015393DDCEF0, 16 bytes long.
Data: < ê  ÷ > 80 EA 1D A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000015393DDDB70, 16 bytes long.
Data: <@é  ÷ > 40 E9 1D A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000015393DDCEA0, 16 bytes long.
Data: <øW  ÷ > F8 57 1A A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000015393DDDB20, 16 bytes long.
Data: <ØW  ÷ > D8 57 1A A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000015393DDD6C0, 16 bytes long.
Data: <P  ÷ > 50 04 1A A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000015393DDD580, 16 bytes long.
Data: <0  ÷ > 30 04 1A A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000015393DDD670, 16 bytes long.
Data: <à  ÷ > E0 02 1A A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000015393DDD5D0, 16 bytes long.
Data: <  ÷ > 10 04 1A A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000015393DDD170, 16 bytes long.
Data: <p  ÷ > 70 04 1A A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000015393DDCF40, 16 bytes long.
Data: < À  ÷ > 18 C0 18 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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