Task 38681495
| Name | test_207-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND4008_0 |
| Workunit | 31623159 |
| Created | 27 Oct 2026, 4:12:57 UTC |
| Sent | 27 Oct 2026, 4:13:07 UTC |
| Report deadline | 1 Nov 2026, 4:13:07 UTC |
| Received | 27 Oct 2026, 4:46:17 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 585486 |
| Run time | 32 min 27 sec |
| CPU time | 29 min 48 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 21,377.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 701.25 MB |
| Peak swap size | 6.90 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:14:37 (13036): wrapper (7.9.26016): starting
23:14:37 (13036): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
23:14:39 (13036): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:14:39 (13036): 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\14\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\14\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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
23:45:49 (13036): C:/Windows/system32/cmd.exe exited; CPU time 1788.250000
23:45:49 (13036): 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: 41676837 bytes.
Dumping objects ->
{3835265} normal block at 0x000001D60358CC80, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835254} normal block at 0x000001D601994CC0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835243} normal block at 0x000001D601994C50, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835232} normal block at 0x000001D601994A90, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835221} normal block at 0x000001D601994940, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835190} normal block at 0x000001D6035D84F0, 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) : {3835177} normal block at 0x000001D60198F450, 8 bytes long.
Data: < Ö Ö > 00 00 D6 01 D6 01 00 00
{3833963} normal block at 0x000001D60198EEB0, 8 bytes long.
Data: <0ß^ Ö > 30 DF 5E 03 D6 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001D601991560, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001D6019867A0, 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 0x000001D6019959B0, 16 bytes long.
Data: <8h Ö > 38 68 99 01 D6 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001D6019963B0, 16 bytes long.
Data: < h Ö > 10 68 99 01 D6 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001D6019907F0, 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 0x000001D6019962C0, 16 bytes long.
Data: <èg Ö > E8 67 99 01 D6 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D601996090, 16 bytes long.
Data: <Àg Ö > C0 67 99 01 D6 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D601995780, 16 bytes long.
Data: < g Ö > 98 67 99 01 D6 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001D601995A00, 16 bytes long.
Data: <pg Ö > 70 67 99 01 D6 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D601994E80, 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 0x000001D601995E10, 16 bytes long.
Data: <ø¶— Ö > F8 B6 97 01 D6 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D6019908B0, 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 0x000001D601995A50, 16 bytes long.
Data: <ж— Ö > D0 B6 97 01 D6 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D601996270, 16 bytes long.
Data: <¨¶— Ö > A8 B6 97 01 D6 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D601995F50, 16 bytes long.
Data: < ¶— Ö > 80 B6 97 01 D6 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D601995730, 16 bytes long.
Data: <X¶— Ö > 58 B6 97 01 D6 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D6019958C0, 16 bytes long.
Data: <0¶— Ö > 30 B6 97 01 D6 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D6019960E0, 16 bytes long.
Data: < ¶— Ö > 08 B6 97 01 D6 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D60198FBF0, 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 0x000001D601995FA0, 16 bytes long.
Data: <ൗ Ö > E0 B5 97 01 D6 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D60197B5E0, 320 bytes long.
Data: < _ Ö ðû Ö > A0 5F 99 01 D6 01 00 00 F0 FB 98 01 D6 01 00 00
{277} normal block at 0x000001D601995EB0, 16 bytes long.
Data: <Pg Ö > 50 67 99 01 D6 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D601995820, 16 bytes long.
Data: <(g Ö > 28 67 99 01 D6 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D601990610, 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 0x000001D6019957D0, 16 bytes long.
Data: < g Ö > 00 67 99 01 D6 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D6019905B0, 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 0x000001D601996040, 16 bytes long.
Data: <Hf Ö > 48 66 99 01 D6 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001D6019964A0, 16 bytes long.
Data: < f Ö > 20 66 99 01 D6 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D601995960, 16 bytes long.
Data: <øe Ö > F8 65 99 01 D6 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001D601996220, 16 bytes long.
Data: <Ðe Ö > D0 65 99 01 D6 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D601995F00, 16 bytes long.
Data: <¨e Ö > A8 65 99 01 D6 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D601995E60, 16 bytes long.
Data: < e Ö > 80 65 99 01 D6 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D601995FF0, 16 bytes long.
Data: <0M Ö > 30 4D 99 01 D6 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D601994D30, 40 bytes long.
Data: <ð_ Ö ð„] Ö > F0 5F 99 01 D6 01 00 00 F0 84 5D 03 D6 01 00 00
{263} normal block at 0x000001D6019956E0, 16 bytes long.
Data: <`e Ö > 60 65 99 01 D6 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D601995C30, 16 bytes long.
Data: <8e Ö > 38 65 99 01 D6 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D601990550, 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 0x000001D601995CD0, 16 bytes long.
Data: < e Ö > 10 65 99 01 D6 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001D601996510, 992 bytes long.
Data: <Ð\ Ö P Ö > D0 5C 99 01 D6 01 00 00 50 05 99 01 D6 01 00 00
{95} normal block at 0x000001D60198FCB0, 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 0x000001D60198ED70, 16 bytes long.
Data: <ðå— Ö > F0 E5 97 01 D6 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001D60197E5F0, 40 bytes long.
Data: <pí Ö °ü Ö > 70 ED 98 01 D6 01 00 00 B0 FC 98 01 D6 01 00 00
{72} normal block at 0x000001D60198EF00, 16 bytes long.
Data: < ê–Ãö > 80 EA 96 C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001D60198ED20, 16 bytes long.
Data: <@é–Ãö > 40 E9 96 C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001D60198EE60, 16 bytes long.
Data: <øW“Ãö > F8 57 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001D60198EFA0, 16 bytes long.
Data: <ØW“Ãö > D8 57 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D60198F900, 16 bytes long.
Data: <P “Ãö > 50 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D60198F220, 16 bytes long.
Data: <0 “Ãö > 30 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D60198F4F0, 16 bytes long.
Data: <à “Ãö > E0 02 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D60198EDC0, 16 bytes long.
Data: < “Ãö > 10 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D60198F1D0, 16 bytes long.
Data: <p “Ãö > 70 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001D60198EE10, 16 bytes long.
Data: < À‘Ãö > 18 C0 91 C3 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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