Task 38676748
| Name | test_259-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND0641_0 |
| Workunit | 31618648 |
| Created | 26 Oct 2026, 12:13:24 UTC |
| Sent | 26 Oct 2026, 12:13:26 UTC |
| Report deadline | 31 Oct 2026, 12:13:26 UTC |
| Received | 26 Oct 2026, 14:10:16 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 140554 |
| Run time | 29 min |
| CPU time | 29 min |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 35,585.07 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 722.14 MB |
| Peak swap size | 13.03 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
06:40:44 (9560): wrapper (7.9.26016): starting
06:40:44 (9560): 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
06:40:46 (9560): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:40:46 (9560): 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\7\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\7\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
07:07:36 (9560): C:/Windows/system32/cmd.exe exited; CPU time 1740.171875
07:07:36 (9560): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 27463759 bytes.
Dumping objects ->
{3835233} normal block at 0x000001F5E96A12C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835222} normal block at 0x000001F5E96A1560, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835211} normal block at 0x000001F5E96A0FB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835200} normal block at 0x000001F5E96A1170, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835189} normal block at 0x000001F5E96A0ED0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835158} normal block at 0x000001F5E97950A0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835147} normal block at 0x000001F5E97ACF70, 102 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) : {3835144} normal block at 0x000001F5E7A286B0, 8 bytes long.
Data: < Géõ > 00 00 47 E9 F5 01 00 00
{3834540} normal block at 0x000001F5E97AD860, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833959} normal block at 0x000001F5E7A27E40, 8 bytes long.
Data: < êjéõ > 00 EA 6A E9 F5 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001F5E7A15F80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001F5E7A1AFE0, 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 0x000001F5E7A32790, 16 bytes long.
Data: < M£çõ > 98 4D A3 E7 F5 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F5E7A327E0, 16 bytes long.
Data: <pM£çõ > 70 4D A3 E7 F5 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F5E7A2C840, 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 0x000001F5E7A32AB0, 16 bytes long.
Data: <HM£çõ > 48 4D A3 E7 F5 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F5E7A32740, 16 bytes long.
Data: < M£çõ > 20 4D A3 E7 F5 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F5E7A32A60, 16 bytes long.
Data: <øL£çõ > F8 4C A3 E7 F5 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F5E7A326F0, 16 bytes long.
Data: <ÐL£çõ > D0 4C A3 E7 F5 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F5E7A2E730, 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 0x000001F5E7A326A0, 16 bytes long.
Data: <hÏ¡çõ > 68 CF A1 E7 F5 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F5E7A2C6C0, 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 0x000001F5E7A32920, 16 bytes long.
Data: <@Ï¡çõ > 40 CF A1 E7 F5 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F5E7A32BA0, 16 bytes long.
Data: < Ï¡çõ > 18 CF A1 E7 F5 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F5E7A335F0, 16 bytes long.
Data: <ðΡçõ > F0 CE A1 E7 F5 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F5E7A33320, 16 bytes long.
Data: <ÈΡçõ > C8 CE A1 E7 F5 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F5E7A32C90, 16 bytes long.
Data: < Î¡çõ > A0 CE A1 E7 F5 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F5E7A33280, 16 bytes long.
Data: <xΡçõ > 78 CE A1 E7 F5 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F5E7A2C960, 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 0x000001F5E7A32D80, 16 bytes long.
Data: <PΡçõ > 50 CE A1 E7 F5 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F5E7A1CE50, 320 bytes long.
Data: < -£çõ `É¢çõ > 80 2D A3 E7 F5 01 00 00 60 C9 A2 E7 F5 01 00 00
{275} normal block at 0x000001F5E7A32A10, 16 bytes long.
Data: <°L£çõ > B0 4C A3 E7 F5 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F5E7A33190, 16 bytes long.
Data: < L£çõ > 88 4C A3 E7 F5 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F5E7A2D2C0, 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 0x000001F5E7A334B0, 16 bytes long.
Data: <`L£çõ > 60 4C A3 E7 F5 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F5E7A2CA80, 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 0x000001F5E7A33140, 16 bytes long.
Data: <¨K£çõ > A8 4B A3 E7 F5 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F5E7A33410, 16 bytes long.
Data: < K£çõ > 80 4B A3 E7 F5 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F5E7A33500, 16 bytes long.
Data: <XK£çõ > 58 4B A3 E7 F5 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F5E7A330A0, 16 bytes long.
Data: <0K£çõ > 30 4B A3 E7 F5 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F5E7A33050, 16 bytes long.
Data: < K£çõ > 08 4B A3 E7 F5 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F5E7A32FB0, 16 bytes long.
Data: <àJ£çõ > E0 4A A3 E7 F5 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F5E7A32970, 16 bytes long.
Data: < è¢çõ > 10 E8 A2 E7 F5 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F5E7A2E810, 40 bytes long.
Data: <p)£çõ  Pyéõ > 70 29 A3 E7 F5 01 00 00 A0 50 79 E9 F5 01 00 00
{261} normal block at 0x000001F5E7A329C0, 16 bytes long.
Data: <ÀJ£çõ > C0 4A A3 E7 F5 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F5E7A33230, 16 bytes long.
Data: < J£çõ > 98 4A A3 E7 F5 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F5E7A2D320, 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 0x000001F5E7A33460, 16 bytes long.
Data: <pJ£çõ > 70 4A A3 E7 F5 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001F5E7A34A70, 992 bytes long.
Data: <`4£çõ Ó¢çõ > 60 34 A3 E7 F5 01 00 00 20 D3 A2 E7 F5 01 00 00
{93} normal block at 0x000001F5E7A2CFC0, 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 0x000001F5E7A278F0, 16 bytes long.
Data: <Ðâ¢çõ > D0 E2 A2 E7 F5 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001F5E7A2E2D0, 40 bytes long.
Data: <ðx¢çõ ÀÏ¢çõ > F0 78 A2 E7 F5 01 00 00 C0 CF A2 E7 F5 01 00 00
{70} normal block at 0x000001F5E7A27D50, 16 bytes long.
Data: < ê õ÷ > 80 EA 00 F5 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F5E7A28520, 16 bytes long.
Data: <@é õ÷ > 40 E9 00 F5 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F5E7A27CB0, 16 bytes long.
Data: <øWýô÷ > F8 57 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F5E7A28480, 16 bytes long.
Data: <ØWýô÷ > D8 57 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F5E7A285C0, 16 bytes long.
Data: <P ýô÷ > 50 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F5E7A27DF0, 16 bytes long.
Data: <0 ýô÷ > 30 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F5E7A28570, 16 bytes long.
Data: <à ýô÷ > E0 02 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F5E7A27AD0, 16 bytes long.
Data: < ýô÷ > 10 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F5E7A27C60, 16 bytes long.
Data: <p ýô÷ > 70 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001F5E7A284D0, 16 bytes long.
Data: < Àûô÷ > 18 C0 FB F4 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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