Task 38584443
| Name | JNK1_A27_A38_r4_1-QUICO_ATM_GAFF2_LOMAP_JNK1_3-1-5-RND8552_0 |
| Workunit | 31548004 |
| Created | 17 Dec 2025, 16:37:30 UTC |
| Sent | 17 Dec 2025, 16:37:33 UTC |
| Report deadline | 22 Dec 2025, 16:37:33 UTC |
| Received | 17 Dec 2025, 23:08:59 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 610687 |
| Run time | 6 hours 23 min 30 sec |
| CPU time | 6 hours 23 min 30 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 13,176.12 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 709.86 MB |
| Peak swap size | 12.88 GB |
| Peak disk usage | 3.56 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
18:42:00 (2804): wrapper (7.9.26016): starting
18:42:00 (2804): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A38_0.pdb
QB_A27_A38_0.xml
QB_A27_A38_equil.pdb
QB_A27_A38.inpcrd
QB_A27_A38_input.yaml
QB_A27_A38_mdlambda.pdb
QB_A27_A38_min.pdb
QB_A27_A38_npt.pdb
QB_A27_A38_out_merged_nowater.pdb
QB_A27_A38.pdb
QB_A27_A38.prmtop
QB_A27_A38_sys.xml
QB_A27_A38_therm.pdb
run.bat
run.sh
18:42:01 (2804): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:42:01 (2804): 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\8\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\8\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
01:07:34 (2804): C:/Windows/system32/cmd.exe exited; CPU time 23010.296875
01:07:34 (2804): 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: 401866171 bytes.
Dumping objects ->
{3835335} normal block at 0x0000019595B0BFF0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835324} normal block at 0x0000019595B0C8B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835313} normal block at 0x0000019595B0CC30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835302} normal block at 0x0000019595B0CBC0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835291} normal block at 0x0000019595B0CB50, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835260} normal block at 0x00000195977BB510, 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) : {3835247} normal block at 0x0000019595ADE870, 8 bytes long.
Data: < ¥•• > 00 00 A5 95 95 01 00 00
{3833963} normal block at 0x0000019595ADE190, 8 bytes long.
Data: <p軕• > 70 E8 BB 95 95 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000019595AD6040, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000019595AD50E0, 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 0x0000019595AE94A0, 16 bytes long.
Data: <(ž®•• > 28 9E AE 95 95 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000019595AE9540, 16 bytes long.
Data: < ž®•• > 00 9E AE 95 95 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000019595AE49A0, 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 0x0000019595AE8BE0, 16 bytes long.
Data: <Ø ®•• > D8 9D AE 95 95 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000019595AE91D0, 16 bytes long.
Data: <° ®•• > B0 9D AE 95 95 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000019595AE9180, 16 bytes long.
Data: < ®•• > 88 9D AE 95 95 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000019595AE99A0, 16 bytes long.
Data: <` ®•• > 60 9D AE 95 95 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000019595AE3310, 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 0x0000019595AE9090, 16 bytes long.
Data: <È ­•• > C8 1C AD 95 95 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000019595AE4D00, 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 0x0000019595AE8FF0, 16 bytes long.
Data: <  ­•• > A0 1C AD 95 95 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000019595AE97C0, 16 bytes long.
Data: <x ­•• > 78 1C AD 95 95 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000019595AE9360, 16 bytes long.
Data: <P ­•• > 50 1C AD 95 95 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019595AE9770, 16 bytes long.
Data: <( ­•• > 28 1C AD 95 95 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000019595AE9A90, 16 bytes long.
Data: < ­•• > 00 1C AD 95 95 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000019595AE8C30, 16 bytes long.
Data: <Ø ­•• > D8 1B AD 95 95 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019595AE5300, 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 0x0000019595AE92C0, 16 bytes long.
Data: <° ­•• > B0 1B AD 95 95 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019595AD1BB0, 320 bytes long.
Data: <À’®•• S®•• > C0 92 AE 95 95 01 00 00 00 53 AE 95 95 01 00 00
{277} normal block at 0x0000019595AE99F0, 16 bytes long.
Data: <@ ®•• > 40 9D AE 95 95 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019595AE9270, 16 bytes long.
Data: < ®•• > 18 9D AE 95 95 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000019595AE4C40, 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 0x0000019595AE8E60, 16 bytes long.
Data: <𜮕• > F0 9C AE 95 95 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000019595AE4760, 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 0x0000019595AE95E0, 16 bytes long.
Data: <8œ®•• > 38 9C AE 95 95 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019595AE8EB0, 16 bytes long.
Data: < œ®•• > 10 9C AE 95 95 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019595AE9590, 16 bytes long.
Data: <è›®•• > E8 9B AE 95 95 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000019595AE9130, 16 bytes long.
Data: <À›®•• > C0 9B AE 95 95 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000019595AE8C80, 16 bytes long.
Data: < ›®•• > 98 9B AE 95 95 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019595AE8E10, 16 bytes long.
Data: <p›®•• > 70 9B AE 95 95 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000019595AE9400, 16 bytes long.
Data: < 0®•• > 00 30 AE 95 95 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019595AE3000, 40 bytes long.
Data: < ”®•• µ{—• > 00 94 AE 95 95 01 00 00 10 B5 7B 97 95 01 00 00
{263} normal block at 0x0000019595AE9860, 16 bytes long.
Data: <P›®•• > 50 9B AE 95 95 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000019595AE9040, 16 bytes long.
Data: <(›®•• > 28 9B AE 95 95 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000019595AE5000, 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 0x0000019595AE9950, 16 bytes long.
Data: < ›®•• > 00 9B AE 95 95 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000019595AE9B00, 992 bytes long.
Data: <P ®•• P®•• > 50 99 AE 95 95 01 00 00 00 50 AE 95 95 01 00 00
{95} normal block at 0x0000019595AE4A00, 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 0x0000019595ADE5A0, 16 bytes long.
Data: <02®•• > 30 32 AE 95 95 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000019595AE3230, 40 bytes long.
Data: < å­•• J®•• > A0 E5 AD 95 95 01 00 00 00 4A AE 95 95 01 00 00
{72} normal block at 0x0000019595ADE7D0, 16 bytes long.
Data: < ê×–ö > 80 EA D7 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000019595ADE2D0, 16 bytes long.
Data: <@é×–ö > 40 E9 D7 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000019595ADDC90, 16 bytes long.
Data: <øWÔ–ö > F8 57 D4 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000019595ADE6E0, 16 bytes long.
Data: <ØWÔ–ö > D8 57 D4 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000019595ADE140, 16 bytes long.
Data: <P Ô–ö > 50 04 D4 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000019595ADE280, 16 bytes long.
Data: <0 Ô–ö > 30 04 D4 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019595ADDEC0, 16 bytes long.
Data: <à Ô–ö > E0 02 D4 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019595ADE8C0, 16 bytes long.
Data: < Ô–ö > 10 04 D4 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000019595ADE050, 16 bytes long.
Data: <p Ô–ö > 70 04 D4 96 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000019595ADDF60, 16 bytes long.
Data: < ÀÒ–ö > 18 C0 D2 96 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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