Task 38599747
| Name | p38_A12_A31_r0_5-QUICO_ATM_GAFF2_NAGL_p38-1-6-RND3221_1 |
| Workunit | 31554583 |
| Created | 8 Apr 2026, 20:42:01 UTC |
| Sent | 8 Apr 2026, 20:42:14 UTC |
| Report deadline | 13 Apr 2026, 20:42:14 UTC |
| Received | 9 Apr 2026, 6:26:18 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 609709 |
| Run time | 3 hours 8 min 5 sec |
| CPU time | 3 hours 8 min 5 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 44,754.50 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 713.21 MB |
| Peak swap size | 12.97 GB |
| Peak disk usage | 3.05 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
05:26:38 (34284): wrapper (7.9.26016): starting
05:26:38 (34284): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A12_A31_0.pdb
QB_A12_A31_0.xml
QB_A12_A31.inpcrd
QB_A12_A31_input.yaml
QB_A12_A31.pdb
QB_A12_A31.prmtop
QB_A12_A31_sys.xml
run.bat
run.sh
05:26:39 (34284): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:26:39 (34284): 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 'D:\BOINC\Data\slots\2\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 'D:\BOINC\Data\slots\2\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
08:24:31 (34284): C:/Windows/system32/cmd.exe exited; CPU time 11285.562500
08:24:31 (34284): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 187544725 bytes.
Dumping objects ->
{3835237} normal block at 0x000002531CB06C00, 48 bytes long.
Data: <PATH=D:\BOINC\Da> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 44 61
{3835226} normal block at 0x000002531E9780F0, 32 bytes long.
Data: <HOME=D:\BOINC\Da> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 44 61
{3835215} normal block at 0x000002531E977E50, 32 bytes long.
Data: <TMP=D:\BOINC\Dat> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 44 61 74
{3835204} normal block at 0x000002531E978810, 32 bytes long.
Data: <TEMP=D:\BOINC\Da> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 44 61
{3835193} normal block at 0x000002531E9773D0, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{3835162} normal block at 0x000002531CB06B20, 48 bytes long.
Data: <PATH=D:\BOINC\Da> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 44 61
{3835151} normal block at 0x000002531CB53CF0, 140 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) : {3835148} normal block at 0x000002531CAFC310, 8 bytes long.
Data: < ü S > 00 00 FC 1C 53 02 00 00
{3834549} normal block at 0x000002531CB53810, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833965} normal block at 0x000002531CAFC770, 8 bytes long.
Data: < ü“ S > 90 FC 93 1E 53 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002531CAF2370, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002531CAF3AE0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x000002531CB080F0, 16 bytes long.
Data: < †° S > 18 86 B0 1C 53 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002531CB07A60, 16 bytes long.
Data: <ð…° S > F0 85 B0 1C 53 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002531CB01E30, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x000002531CB07920, 16 bytes long.
Data: <È…° S > C8 85 B0 1C 53 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002531CB07CE0, 16 bytes long.
Data: < …° S > A0 85 B0 1C 53 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002531CB07F60, 16 bytes long.
Data: <x…° S > 78 85 B0 1C 53 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002531CB07380, 16 bytes long.
Data: <P…° S > 50 85 B0 1C 53 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002531CB06F80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x000002531CB07880, 16 bytes long.
Data: <x ¯ S > 78 09 AF 1C 53 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002531CB01A10, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x000002531CB07830, 16 bytes long.
Data: <P ¯ S > 50 09 AF 1C 53 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002531CB07D30, 16 bytes long.
Data: <( ¯ S > 28 09 AF 1C 53 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002531CB07BF0, 16 bytes long.
Data: < ¯ S > 00 09 AF 1C 53 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002531CB07FB0, 16 bytes long.
Data: <Ø ¯ S > D8 08 AF 1C 53 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002531CB07650, 16 bytes long.
Data: <° ¯ S > B0 08 AF 1C 53 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002531CB08230, 16 bytes long.
Data: < ¯ S > 88 08 AF 1C 53 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002531CB01710, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x000002531CB07A10, 16 bytes long.
Data: <` ¯ S > 60 08 AF 1C 53 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002531CAF0860, 320 bytes long.
Data: < z° S ° S > 10 7A B0 1C 53 02 00 00 10 17 B0 1C 53 02 00 00
{278} normal block at 0x000002531CB08000, 16 bytes long.
Data: <0…° S > 30 85 B0 1C 53 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002531CB079C0, 16 bytes long.
Data: < …° S > 08 85 B0 1C 53 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002531CB014D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x000002531CB077E0, 16 bytes long.
Data: <à„° S > E0 84 B0 1C 53 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002531CB01EF0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x000002531CB076A0, 16 bytes long.
Data: <(„° S > 28 84 B0 1C 53 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002531CB078D0, 16 bytes long.
Data: < „° S > 00 84 B0 1C 53 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002531CB07790, 16 bytes long.
Data: <؃° S > D8 83 B0 1C 53 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002531CB07F10, 16 bytes long.
Data: <°ƒ° S > B0 83 B0 1C 53 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002531CB075B0, 16 bytes long.
Data: < ƒ° S > 88 83 B0 1C 53 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002531CB07E20, 16 bytes long.
Data: <`ƒ° S > 60 83 B0 1C 53 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002531CB07970, 16 bytes long.
Data: < o° S > 10 6F B0 1C 53 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002531CB06F10, 40 bytes long.
Data: <py° S k° S > 70 79 B0 1C 53 02 00 00 20 6B B0 1C 53 02 00 00
{264} normal block at 0x000002531CB073D0, 16 bytes long.
Data: <@ƒ° S > 40 83 B0 1C 53 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002531CB07D80, 16 bytes long.
Data: < ƒ° S > 18 83 B0 1C 53 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002531CB01E90, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x000002531CB076F0, 16 bytes long.
Data: <ð‚° S > F0 82 B0 1C 53 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002531CB082F0, 992 bytes long.
Data: <ðv° S ° S > F0 76 B0 1C 53 02 00 00 90 1E B0 1C 53 02 00 00
{96} normal block at 0x000002531CB018F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x000002531CAFC2C0, 16 bytes long.
Data: <ð.° S > F0 2E B0 1C 53 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000002531CB02EF0, 40 bytes long.
Data: <À¯ S ð ° S > C0 C2 AF 1C 53 02 00 00 F0 18 B0 1C 53 02 00 00
{73} normal block at 0x000002531CAFC720, 16 bytes long.
Data: < êM¸ö > 80 EA 4D B8 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002531CAFC220, 16 bytes long.
Data: <@éM¸ö > 40 E9 4D B8 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002531CAFC4A0, 16 bytes long.
Data: <øWJ¸ö > F8 57 4A B8 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002531CAFBF00, 16 bytes long.
Data: <ØWJ¸ö > D8 57 4A B8 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002531CAFBE10, 16 bytes long.
Data: <P J¸ö > 50 04 4A B8 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002531CAFC7C0, 16 bytes long.
Data: <0 J¸ö > 30 04 4A B8 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002531CAFC680, 16 bytes long.
Data: <à J¸ö > E0 02 4A B8 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002531CAFCA40, 16 bytes long.
Data: < J¸ö > 10 04 4A B8 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002531CAFC130, 16 bytes long.
Data: <p J¸ö > 70 04 4A B8 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002531CAFCCC0, 16 bytes long.
Data: < ÀH¸ö > 18 C0 48 B8 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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