Task 38582595
| Name | HIF2A_A41_A30_r0_4-QUICO_ATM_GAFF2_LOMAP_HIF2A-4-5-RND6738_0 |
| Workunit | 31546888 |
| Created | 13 Dec 2025, 7:59:12 UTC |
| Sent | 13 Dec 2025, 7:59:15 UTC |
| Report deadline | 18 Dec 2025, 7:59:15 UTC |
| Received | 13 Dec 2025, 11:14:45 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 642296 |
| Run time | 3 hours 8 min 27 sec |
| CPU time | 3 hours 8 min 27 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 16,204.67 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 473.25 MB |
| Peak swap size | 8.02 GB |
| Peak disk usage | 2.96 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
03:01:23 (64332): wrapper (7.9.26016): starting
03:01:23 (64332): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A41_A30_0.pdb
QB_A41_A30_0.xml
QB_A41_A30_equil.pdb
QB_A41_A30.inpcrd
QB_A41_A30_input.yaml
QB_A41_A30_mdlambda.pdb
QB_A41_A30_min.pdb
QB_A41_A30_npt.pdb
QB_A41_A30.pdb
QB_A41_A30.prmtop
QB_A41_A30_sys.xml
QB_A41_A30_therm.pdb
run.bat
run.sh
03:01:25 (64332): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:01:25 (64332): 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 'F:\BOINC\slots\10\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 'F:\BOINC\slots\10\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
06:14:09 (64332): C:/Windows/system32/cmd.exe exited; CPU time 11307.687500
06:14:09 (64332): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 263692751 bytes.
Dumping objects ->
{3835204} normal block at 0x00000293AEDA87F0, 48 bytes long.
Data: <PATH=F:\BOINC\sl> 50 41 54 48 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835193} normal block at 0x00000293B1A10E30, 32 bytes long.
Data: <HOME=F:\BOINC\sl> 48 4F 4D 45 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835182} normal block at 0x00000293B1A11070, 32 bytes long.
Data: <TMP=F:\BOINC\slo> 54 4D 50 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835171} normal block at 0x00000293B1A10FB0, 32 bytes long.
Data: <TEMP=F:\BOINC\sl> 54 45 4D 50 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835160} normal block at 0x00000293B1A11490, 32 bytes long.
Data: <TMPDIR=F:\BOINC\> 54 4D 50 44 49 52 3D 46 3A 5C 42 4F 49 4E 43 5C
{3835129} normal block at 0x00000293AEDA8630, 48 bytes long.
Data: <PATH=F:\BOINC\sl> 50 41 54 48 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C
..\api\boinc_api.cpp(309) : {3835116} normal block at 0x00000293AED9C2D0, 8 bytes long.
Data: < ¯“ > 00 00 1A AF 93 02 00 00
{3833959} normal block at 0x00000293AED9CB40, 8 bytes long.
Data: < L¢±“ > 80 4C A2 B1 93 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000293AED93190, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000293AED93BE0, 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 0x00000293AEDA6FB0, 16 bytes long.
Data: < Ú®“ > 18 80 DA AE 93 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000293AEDA6E70, 16 bytes long.
Data: <ð Ú®“ > F0 7F DA AE 93 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000293AEDA3480, 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 0x00000293AEDA6D80, 16 bytes long.
Data: <È Ú®“ > C8 7F DA AE 93 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000293AEDA70A0, 16 bytes long.
Data: <  Ú®“ > A0 7F DA AE 93 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000293AEDA7500, 16 bytes long.
Data: <x Ú®“ > 78 7F DA AE 93 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000293AEDA71E0, 16 bytes long.
Data: <P Ú®“ > 50 7F DA AE 93 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000293AEDA8470, 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 0x00000293AEDA7BE0, 16 bytes long.
Data: <¸þØ®“ > B8 FE D8 AE 93 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000293AEDA3F00, 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 0x00000293AEDA7AF0, 16 bytes long.
Data: < þØ®“ > 90 FE D8 AE 93 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000293AEDA7A00, 16 bytes long.
Data: <hþØ®“ > 68 FE D8 AE 93 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000293AEDA7A50, 16 bytes long.
Data: <@þØ®“ > 40 FE D8 AE 93 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000293AEDA6F10, 16 bytes long.
Data: < þØ®“ > 18 FE D8 AE 93 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000293AEDA6F60, 16 bytes long.
Data: <ðýØ®“ > F0 FD D8 AE 93 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000293AEDA7140, 16 bytes long.
Data: <ÈýØ®“ > C8 FD D8 AE 93 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000293AEDA3A80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x00000293AEDA7460, 16 bytes long.
Data: < ýØ®“ > A0 FD D8 AE 93 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000293AED8FDA0, 320 bytes long.
Data: <`tÚ®“ :Ú®“ > 60 74 DA AE 93 02 00 00 80 3A DA AE 93 02 00 00
{275} normal block at 0x00000293AEDA7910, 16 bytes long.
Data: <0 Ú®“ > 30 7F DA AE 93 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000293AEDA78C0, 16 bytes long.
Data: < Ú®“ > 08 7F DA AE 93 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000293AEDA3DE0, 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 0x00000293AEDA7820, 16 bytes long.
Data: <à~Ú®“ > E0 7E DA AE 93 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000293AEDA3A20, 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 0x00000293AEDA7870, 16 bytes long.
Data: <(~Ú®“ > 28 7E DA AE 93 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000293AEDA79B0, 16 bytes long.
Data: < ~Ú®“ > 00 7E DA AE 93 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000293AEDA7190, 16 bytes long.
Data: <Ø}Ú®“ > D8 7D DA AE 93 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000293AEDA7550, 16 bytes long.
Data: <°}Ú®“ > B0 7D DA AE 93 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000293AEDA7230, 16 bytes long.
Data: < }Ú®“ > 88 7D DA AE 93 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000293AEDA6E20, 16 bytes long.
Data: <`}Ú®“ > 60 7D DA AE 93 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000293AEDA7B90, 16 bytes long.
Data: <PŽØ®“ > 50 8E D8 AE 93 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000293AED88E50, 40 bytes long.
Data: < {Ú®“ 0†Ú®“ > 90 7B DA AE 93 02 00 00 30 86 DA AE 93 02 00 00
{261} normal block at 0x00000293AEDA7690, 16 bytes long.
Data: <@}Ú®“ > 40 7D DA AE 93 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000293AEDA7000, 16 bytes long.
Data: < }Ú®“ > 18 7D DA AE 93 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000293AEDA3840, 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 0x00000293AEDA6D30, 16 bytes long.
Data: <ð|Ú®“ > F0 7C DA AE 93 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000293AEDA7CF0, 992 bytes long.
Data: <0mÚ®“ @8Ú®“ > 30 6D DA AE 93 02 00 00 40 38 DA AE 93 02 00 00
{93} normal block at 0x00000293AEDA3660, 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 0x00000293AED9C910, 16 bytes long.
Data: <`ÿØ®“ > 60 FF D8 AE 93 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x00000293AED8FF60, 40 bytes long.
Data: < ÉÙ®“ `6Ú®“ > 10 C9 D9 AE 93 02 00 00 60 36 DA AE 93 02 00 00
{70} normal block at 0x00000293AED9C550, 16 bytes long.
Data: < êÕu÷ > 80 EA D5 75 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000293AED9CAF0, 16 bytes long.
Data: <@éÕu÷ > 40 E9 D5 75 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000293AED9C280, 16 bytes long.
Data: <øWÒu÷ > F8 57 D2 75 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000293AED9CD20, 16 bytes long.
Data: <ØWÒu÷ > D8 57 D2 75 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000293AED9CEB0, 16 bytes long.
Data: <P Òu÷ > 50 04 D2 75 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000293AED9C6E0, 16 bytes long.
Data: <0 Òu÷ > 30 04 D2 75 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000293AED9C8C0, 16 bytes long.
Data: <à Òu÷ > E0 02 D2 75 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000293AED9CC30, 16 bytes long.
Data: < Òu÷ > 10 04 D2 75 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000293AED9C690, 16 bytes long.
Data: <p Òu÷ > 70 04 D2 75 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000293AED9C640, 16 bytes long.
Data: < ÀÐu÷ > 18 C0 D0 75 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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