Task 38599539
| Name | p38_A04_A14_r0_5-QUICO_ATM_GAFF2_NAGL_p38-2-6-RND5993_0 |
| Workunit | 31554440 |
| Created | 8 Apr 2026, 18:46:47 UTC |
| Sent | 8 Apr 2026, 18:47:01 UTC |
| Report deadline | 13 Apr 2026, 18:47:01 UTC |
| Received | 8 Apr 2026, 21:49:28 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 650109 |
| Run time | 3 hours 2 min 27 sec |
| CPU time | 3 hours 20 min 36 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 109,329.43 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 710.20 MB |
| Peak swap size | 25.30 GB |
| Peak disk usage | 3.07 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
01:53:04 (29784): wrapper (7.9.26016): starting
01:53:04 (29784): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A14_0.pdb
QB_A04_A14_0.xml
QB_A04_A14.inpcrd
QB_A04_A14_input.yaml
QB_A04_A14.pdb
QB_A04_A14.prmtop
QB_A04_A14_sys.xml
run.bat
run.sh
01:53:06 (29784): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:53:06 (29784): 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
04:49:10 (29784): C:/Windows/system32/cmd.exe exited; CPU time 12036.296875
04:49:10 (29784): 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: 153734275 bytes.
Dumping objects ->
{3835337} normal block at 0x00000172F89A7590, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835326} normal block at 0x00000172F89A70C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835315} normal block at 0x00000172F89A7050, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835304} normal block at 0x00000172F89A7910, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835293} normal block at 0x00000172F89A7600, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835262} normal block at 0x00000172FA76D400, 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) : {3835249} normal block at 0x00000172F8977C60, 8 bytes long.
Data: < •ør > 00 00 95 F8 72 01 00 00
{3833957} normal block at 0x00000172F8978700, 8 bytes long.
Data: < ú úr > 00 FA 80 FA 72 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000172F89829C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000172F896E6F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x00000172F8983F00, 16 bytes long.
Data: <øK ør > F8 4B 98 F8 72 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000172F8984680, 16 bytes long.
Data: <ÐK ør > D0 4B 98 F8 72 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000172F897D740, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x00000172F89840E0, 16 bytes long.
Data: <¨K ør > A8 4B 98 F8 72 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000172F8983C80, 16 bytes long.
Data: < K ør > 80 4B 98 F8 72 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000172F8983FF0, 16 bytes long.
Data: <XK ør > 58 4B 98 F8 72 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000172F8984310, 16 bytes long.
Data: <0K ør > 30 4B 98 F8 72 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000172F897EA70, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x00000172F8983FA0, 16 bytes long.
Data: <HÉ–ør > 48 C9 96 F8 72 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000172F897D440, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x00000172F8983C30, 16 bytes long.
Data: < É–ør > 20 C9 96 F8 72 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000172F8983960, 16 bytes long.
Data: <øÈ–ør > F8 C8 96 F8 72 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000172F8983B40, 16 bytes long.
Data: <ÐÈ–ør > D0 C8 96 F8 72 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000172F8983EB0, 16 bytes long.
Data: <¨È–ør > A8 C8 96 F8 72 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000172F8984270, 16 bytes long.
Data: < È–ør > 80 C8 96 F8 72 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000172F8984400, 16 bytes long.
Data: <XÈ–ør > 58 C8 96 F8 72 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000172F897CF60, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x00000172F8983E60, 16 bytes long.
Data: <0È–ør > 30 C8 96 F8 72 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000172F896C830, 320 bytes long.
Data: <`> ør `Ï—ør > 60 3E 98 F8 72 01 00 00 60 CF 97 F8 72 01 00 00
{274} normal block at 0x00000172F8983DC0, 16 bytes long.
Data: < K ør > 10 4B 98 F8 72 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000172F8984090, 16 bytes long.
Data: <èJ ør > E8 4A 98 F8 72 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000172F897CA20, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x00000172F8984860, 16 bytes long.
Data: <ÀJ ør > C0 4A 98 F8 72 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000172F897C900, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x00000172F8984180, 16 bytes long.
Data: < J ør > 08 4A 98 F8 72 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000172F8983BE0, 16 bytes long.
Data: <àI ør > E0 49 98 F8 72 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000172F8984590, 16 bytes long.
Data: <¸I ør > B8 49 98 F8 72 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000172F8984130, 16 bytes long.
Data: < I ør > 90 49 98 F8 72 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000172F8983E10, 16 bytes long.
Data: <hI ør > 68 49 98 F8 72 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000172F8984630, 16 bytes long.
Data: <@I ør > 40 49 98 F8 72 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000172F8983B90, 16 bytes long.
Data: <0ì—ør > 30 EC 97 F8 72 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000172F897EC30, 40 bytes long.
Data: < ; ør Ôvúr > 90 3B 98 F8 72 01 00 00 00 D4 76 FA 72 01 00 00
{260} normal block at 0x00000172F8983910, 16 bytes long.
Data: < I ør > 20 49 98 F8 72 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000172F89845E0, 16 bytes long.
Data: <øH ør > F8 48 98 F8 72 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000172F897D4A0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x00000172F8984040, 16 bytes long.
Data: <ÐH ør > D0 48 98 F8 72 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000172F89848D0, 992 bytes long.
Data: <@@ ør  Ô—ør > 40 40 98 F8 72 01 00 00 A0 D4 97 F8 72 01 00 00
{92} normal block at 0x00000172F897CDE0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x00000172F8977C10, 16 bytes long.
Data: <ðæ—ør > F0 E6 97 F8 72 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x00000172F897E6F0, 40 bytes long.
Data: < |—ør àÍ—ør > 10 7C 97 F8 72 01 00 00 E0 CD 97 F8 72 01 00 00
{69} normal block at 0x00000172F8977BC0, 16 bytes long.
Data: < ê¸À÷ > 80 EA B8 C0 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000172F89782A0, 16 bytes long.
Data: <@é¸À÷ > 40 E9 B8 C0 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000172F8978020, 16 bytes long.
Data: <øWµÀ÷ > F8 57 B5 C0 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000172F8978250, 16 bytes long.
Data: <ØWµÀ÷ > D8 57 B5 C0 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000172F8978570, 16 bytes long.
Data: <P µÀ÷ > 50 04 B5 C0 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000172F8978660, 16 bytes long.
Data: <0 µÀ÷ > 30 04 B5 C0 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000172F89784D0, 16 bytes long.
Data: <à µÀ÷ > E0 02 B5 C0 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000172F8978480, 16 bytes long.
Data: < µÀ÷ > 10 04 B5 C0 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000172F8978200, 16 bytes long.
Data: <p µÀ÷ > 70 04 B5 C0 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000172F8978520, 16 bytes long.
Data: < À³À÷ > 18 C0 B3 C0 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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