Task 38580627
| Name | JNK1_A27_A37_r3_1-QUICO_ATM_GAFF2_LOMAP_JNK1_3-0-5-RND4739_0 |
| Workunit | 31545359 |
| Created | 11 Dec 2025, 16:11:44 UTC |
| Sent | 11 Dec 2025, 16:11:47 UTC |
| Report deadline | 16 Dec 2025, 16:11:47 UTC |
| Received | 12 Dec 2025, 18:47:28 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 457130 |
| Run time | 9 hours 32 min 15 sec |
| CPU time | 9 hours 32 min 15 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 9,333.95 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 680.04 MB |
| Peak swap size | 9.82 GB |
| Peak disk usage | 3.50 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
09:07:22 (22052): wrapper (7.9.26016): starting
09:07:22 (22052): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A37_0.pdb
QB_A27_A37_0.xml
QB_A27_A37_equil.pdb
QB_A27_A37.inpcrd
QB_A27_A37_input.yaml
QB_A27_A37_mdlambda.pdb
QB_A27_A37_min.pdb
QB_A27_A37_npt.pdb
QB_A27_A37_out_merged_nowater.pdb
QB_A27_A37.pdb
QB_A27_A37.prmtop
QB_A27_A37_sys.xml
QB_A27_A37_therm.pdb
run.bat
run.sh
09:07:24 (22052): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:07:24 (22052): 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:\BOINC7.6data\slots\16\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:\BOINC7.6data\slots\16\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
18:34:48 (22052): C:/Windows/system32/cmd.exe exited; CPU time 34335.750000
18:34:48 (22052): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 489075033 bytes.
Dumping objects ->
{3835315} normal block at 0x00000244D27D1020, 48 bytes long.
Data: <PATH=C:\BOINC7.6> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 37 2E 36
{3835304} normal block at 0x00000244D2915F80, 32 bytes long.
Data: <HOME=C:\BOINC7.6> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 37 2E 36
{3835293} normal block at 0x00000244D2915A40, 32 bytes long.
Data: <TMP=C:\BOINC7.6d> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 37 2E 36 64
{3835282} normal block at 0x00000244D2915C80, 32 bytes long.
Data: <TEMP=C:\BOINC7.6> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 37 2E 36
{3835271} normal block at 0x00000244D29158C0, 32 bytes long.
Data: <TMPDIR=C:\BOINC7> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 37
{3835240} normal block at 0x00000244D27D14F0, 48 bytes long.
Data: <PATH=C:\BOINC7.6> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 37 2E 36
{3835229} normal block at 0x00000244D29193D0, 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) : {3835226} normal block at 0x00000244D0D47350, 8 bytes long.
Data: < ÑÐD > 00 00 D1 D0 44 02 00 00
{3834584} normal block at 0x00000244D29195B0, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833955} normal block at 0x00000244D0D47300, 8 bytes long.
Data: <àé}ÒD > E0 E9 7D D2 44 02 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000244D0D51330, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000244D0D3B090, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x00000244D0D532C0, 16 bytes long.
Data: <¨:ÕÐD > A8 3A D5 D0 44 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000244D0D531D0, 16 bytes long.
Data: < :ÕÐD > 80 3A D5 D0 44 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000244D0D4D760, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x00000244D0D52B90, 16 bytes long.
Data: <X:ÕÐD > 58 3A D5 D0 44 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000244D0D52B40, 16 bytes long.
Data: <0:ÕÐD > 30 3A D5 D0 44 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000244D0D527D0, 16 bytes long.
Data: < :ÕÐD > 08 3A D5 D0 44 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000244D0D52730, 16 bytes long.
Data: <à9ÕÐD > E0 39 D5 D0 44 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000244D0D4B460, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x00000244D0D524B0, 16 bytes long.
Data: <è¼ÓÐD > E8 BC D3 D0 44 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000244D0D4D880, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x00000244D0D525F0, 16 bytes long.
Data: <À¼ÓÐD > C0 BC D3 D0 44 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000244D0D52C80, 16 bytes long.
Data: < ¼ÓÐD > 98 BC D3 D0 44 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000244D0D52AF0, 16 bytes long.
Data: <p¼ÓÐD > 70 BC D3 D0 44 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000244D0D528C0, 16 bytes long.
Data: <H¼ÓÐD > 48 BC D3 D0 44 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000244D0D52EB0, 16 bytes long.
Data: < ¼ÓÐD > 20 BC D3 D0 44 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000244D0D52AA0, 16 bytes long.
Data: <ø»ÓÐD > F8 BB D3 D0 44 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000244D0D4D640, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x00000244D0D53130, 16 bytes long.
Data: <лÓÐD > D0 BB D3 D0 44 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000244D0D3BBD0, 320 bytes long.
Data: <01ÕÐD @ÖÔÐD > 30 31 D5 D0 44 02 00 00 40 D6 D4 D0 44 02 00 00
{273} normal block at 0x00000244D0D529B0, 16 bytes long.
Data: <À9ÕÐD > C0 39 D5 D0 44 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000244D0D52690, 16 bytes long.
Data: < 9ÕÐD > 98 39 D5 D0 44 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000244D0D4DCA0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x00000244D0D52A00, 16 bytes long.
Data: <p9ÕÐD > 70 39 D5 D0 44 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000244D0D4D5E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x00000244D0D53270, 16 bytes long.
Data: <¸8ÕÐD > B8 38 D5 D0 44 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000244D0D52820, 16 bytes long.
Data: < 8ÕÐD > 90 38 D5 D0 44 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000244D0D52550, 16 bytes long.
Data: <h8ÕÐD > 68 38 D5 D0 44 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000244D0D52FF0, 16 bytes long.
Data: <@8ÕÐD > 40 38 D5 D0 44 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000244D0D526E0, 16 bytes long.
Data: < 8ÕÐD > 18 38 D5 D0 44 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000244D0D52780, 16 bytes long.
Data: <ð7ÕÐD > F0 37 D5 D0 44 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000244D0D52D20, 16 bytes long.
Data: <ðºÔÐD > F0 BA D4 D0 44 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000244D0D4BAF0, 40 bytes long.
Data: < -ÕÐD ð }ÒD > 20 2D D5 D0 44 02 00 00 F0 14 7D D2 44 02 00 00
{259} normal block at 0x00000244D0D530E0, 16 bytes long.
Data: <Ð7ÕÐD > D0 37 D5 D0 44 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000244D0D52FA0, 16 bytes long.
Data: <¨7ÕÐD > A8 37 D5 D0 44 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000244D0D4D820, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x00000244D0D52A50, 16 bytes long.
Data: < 7ÕÐD > 80 37 D5 D0 44 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000244D0D53780, 992 bytes long.
Data: <P*ÕÐD ØÔÐD > 50 2A D5 D0 44 02 00 00 20 D8 D4 D0 44 02 00 00
{91} normal block at 0x00000244D0D4D100, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x00000244D0D46E50, 16 bytes long.
Data: <°µÔÐD > B0 B5 D4 D0 44 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x00000244D0D4B5B0, 40 bytes long.
Data: <PnÔÐD ÑÔÐD > 50 6E D4 D0 44 02 00 00 00 D1 D4 D0 44 02 00 00
{68} normal block at 0x00000244D0D46DB0, 16 bytes long.
Data: < ꇓö > 80 EA 87 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000244D0D46E00, 16 bytes long.
Data: <@釓ö > 40 E9 87 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000244D0D46EA0, 16 bytes long.
Data: <øW„“ö > F8 57 84 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000244D0D46900, 16 bytes long.
Data: <ØW„“ö > D8 57 84 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000244D0D46F40, 16 bytes long.
Data: <P „“ö > 50 04 84 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000244D0D471C0, 16 bytes long.
Data: <0 „“ö > 30 04 84 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000244D0D47210, 16 bytes long.
Data: <à „“ö > E0 02 84 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000244D0D46D60, 16 bytes long.
Data: < „“ö > 10 04 84 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000244D0D46D10, 16 bytes long.
Data: <p „“ö > 70 04 84 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000244D0D472B0, 16 bytes long.
Data: < À‚“ö > 18 C0 82 93 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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