Task 38684488
| Name | test_970-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND8223_0 |
| Workunit | 31626000 |
| Created | 27 Oct 2026, 16:37:08 UTC |
| Sent | 27 Oct 2026, 16:37:11 UTC |
| Report deadline | 1 Nov 2026, 16:37:11 UTC |
| Received | 27 Oct 2026, 17:35:11 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 607118 |
| Run time | 51 min 59 sec |
| CPU time | 39 min 38 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,441.05 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 686.20 MB |
| Peak swap size | 9.73 GB |
| Peak disk usage | 3.41 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:29:29 (5700): wrapper (7.9.26016): starting
18:29:29 (5700): 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
18:29:33 (5700): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:29:33 (5700): 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.
tar: r0/checkpoint.xml: time stamp 2026-10-27 18:35:55 is 360.8980365 s in the future
tar: r1/checkpoint.xml: time stamp 2026-10-27 18:35:56 is 361.5618932 s in the future
tar: r10/checkpoint.xml: time stamp 2026-10-27 18:35:59 is 364.2212981 s in the future
tar: r11/checkpoint.xml: time stamp 2026-10-27 18:35:59 is 363.8084446 s in the future
tar: r12/checkpoint.xml: time stamp 2026-10-27 18:36:00 is 364.3959857 s in the future
tar: r13/checkpoint.xml: time stamp 2026-10-27 18:36:00 is 363.9214155 s in the future
tar: r14/checkpoint.xml: time stamp 2026-10-27 18:36:00 is 363.5466578 s in the future
tar: r15/checkpoint.xml: time stamp 2026-10-27 18:36:01 is 361.591082 s in the future
tar: r16/checkpoint.xml: time stamp 2026-10-27 18:36:01 is 361.170799 s in the future
tar: r17/checkpoint.xml: time stamp 2026-10-27 18:36:01 is 360.6945187 s in the future
tar: r18/checkpoint.xml: time stamp 2026-10-27 18:36:02 is 361.1244394 s in the future
tar: r19/checkpoint.xml: time stamp 2026-10-27 18:36:02 is 360.6137146 s in the future
tar: r2/checkpoint.xml: time stamp 2026-10-27 18:35:56 is 354.2360256 s in the future
tar: r20/checkpoint.xml: time stamp 2026-10-27 18:36:02 is 359.6006869 s in the future
tar: r21/checkpoint.xml: time stamp 2026-10-27 18:36:03 is 360.1891609 s in the future
tar: r3/checkpoint.xml: time stamp 2026-10-27 18:35:56 is 352.5842882 s in the future
tar: r4/checkpoint.xml: time stamp 2026-10-27 18:35:57 is 353.1452157 s in the future
tar: r5/checkpoint.xml: time stamp 2026-10-27 18:35:57 is 352.7631613 s in the future
tar: r6/checkpoint.xml: time stamp 2026-10-27 18:35:58 is 353.1934096 s in the future
tar: r7/checkpoint.xml: time stamp 2026-10-27 18:35:58 is 352.7109471 s in the future
tar: r8/checkpoint.xml: time stamp 2026-10-27 18:35:58 is 352.3442189 s in the future
tar: r9/checkpoint.xml: time stamp 2026-10-27 18:35:59 is 352.9507418 s in the future
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
19:19:42 (5700): C:/Windows/system32/cmd.exe exited; CPU time 2378.156250
19:19:42 (5700): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 35655853 bytes.
Dumping objects ->
{3835241} normal block at 0x00000184DEFCA640, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835230} normal block at 0x00000184DEFCAB10, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835219} normal block at 0x00000184DEFCADB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835208} normal block at 0x00000184DEFCA4F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835197} normal block at 0x00000184DD3CBF80, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835166} normal block at 0x00000184DF011D20, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835155} normal block at 0x00000184DF070E70, 180 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) : {3835151} normal block at 0x00000184DD3C7380, 8 bytes long.
Data: < ÓÞ„ > 00 00 D3 DE 84 01 00 00
{3834544} normal block at 0x00000184DF071050, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833941} normal block at 0x00000184DD3C7600, 8 bytes long.
Data: <Ð% ß„ > D0 25 07 DF 84 01 00 00
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x00000184DD3D0CC0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000184DD3BDAC0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{286} normal block at 0x00000184DD3D2570, 16 bytes long.
Data: <ÈA=Ý„ > C8 41 3D DD 84 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000184DD3D21B0, 16 bytes long.
Data: < A=Ý„ > A0 41 3D DD 84 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000184DD3CD1D0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{283} normal block at 0x00000184DD3D28E0, 16 bytes long.
Data: <xA=Ý„ > 78 41 3D DD 84 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000184DD3D1DF0, 16 bytes long.
Data: <PA=Ý„ > 50 41 3D DD 84 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000184DD3D2980, 16 bytes long.
Data: <(A=Ý„ > 28 41 3D DD 84 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000184DD3D2160, 16 bytes long.
Data: < A=Ý„ > 00 41 3D DD 84 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000184DD3CC060, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{278} normal block at 0x00000184DD3D2110, 16 bytes long.
Data: <ÈZ;Ý„ > C8 5A 3B DD 84 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000184DD3CD8F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{276} normal block at 0x00000184DD3D20C0, 16 bytes long.
Data: < Z;Ý„ > A0 5A 3B DD 84 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000184DD3D2070, 16 bytes long.
Data: <xZ;Ý„ > 78 5A 3B DD 84 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000184DD3D2840, 16 bytes long.
Data: <PZ;Ý„ > 50 5A 3B DD 84 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000184DD3D22A0, 16 bytes long.
Data: <(Z;Ý„ > 28 5A 3B DD 84 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000184DD3D2020, 16 bytes long.
Data: < Z;Ý„ > 00 5A 3B DD 84 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000184DD3D27F0, 16 bytes long.
Data: <ØY;Ý„ > D8 59 3B DD 84 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000184DD3CDAD0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{268} normal block at 0x00000184DD3D1CB0, 16 bytes long.
Data: <°Y;Ý„ > B0 59 3B DD 84 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000184DD3B59B0, 320 bytes long.
Data: <° =Ý„ ÐÚ<Ý„ > B0 1C 3D DD 84 01 00 00 D0 DA 3C DD 84 01 00 00
{266} normal block at 0x00000184DD3D2250, 16 bytes long.
Data: <à@=Ý„ > E0 40 3D DD 84 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000184DD3D1FD0, 16 bytes long.
Data: <¸@=Ý„ > B8 40 3D DD 84 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000184DD3CDEF0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{263} normal block at 0x00000184DD3D2890, 16 bytes long.
Data: <@=Ý„ > 90 40 3D DD 84 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000184DD3CDC50, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{261} normal block at 0x00000184DD3D1C60, 16 bytes long.
Data: <Ø?=Ý„ > D8 3F 3D DD 84 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000184DD3D1F80, 16 bytes long.
Data: <°?=Ý„ > B0 3F 3D DD 84 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000184DD3D1BC0, 16 bytes long.
Data: < ?=Ý„ > 88 3F 3D DD 84 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000184DD3D2390, 16 bytes long.
Data: <`?=Ý„ > 60 3F 3D DD 84 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000184DD3D2340, 16 bytes long.
Data: <8?=Ý„ > 38 3F 3D DD 84 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000184DD3D1F30, 16 bytes long.
Data: < ?=Ý„ > 10 3F 3D DD 84 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000184DD3D2A20, 16 bytes long.
Data: <à¼<Ý„ > E0 BC 3C DD 84 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000184DD3CBCE0, 40 bytes long.
Data: < *=Ý„ ß„ > 20 2A 3D DD 84 01 00 00 20 1D 01 DF 84 01 00 00
{252} normal block at 0x00000184DD3D1EE0, 16 bytes long.
Data: <ð>=Ý„ > F0 3E 3D DD 84 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x00000184DD3D1B70, 16 bytes long.
Data: <È>=Ý„ > C8 3E 3D DD 84 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x00000184DD3CD4D0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{249} normal block at 0x00000184DD3D1E90, 16 bytes long.
Data: < >=Ý„ > A0 3E 3D DD 84 01 00 00 00 00 00 00 00 00 00 00
{248} normal block at 0x00000184DD3D3EA0, 992 bytes long.
Data: < =Ý„ ÐÔ<Ý„ > 90 1E 3D DD 84 01 00 00 D0 D4 3C DD 84 01 00 00
{84} normal block at 0x00000184DD3CD9B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{83} normal block at 0x00000184DD3C75B0, 16 bytes long.
Data: <ð¿<Ý„ > F0 BF 3C DD 84 01 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x00000184DD3CBFF0, 40 bytes long.
Data: <°u<Ý„ °Ù<Ý„ > B0 75 3C DD 84 01 00 00 B0 D9 3C DD 84 01 00 00
{61} normal block at 0x00000184DD3C7E70, 16 bytes long.
Data: <€ê ö > 80 EA 16 20 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000184DD3C6F70, 16 bytes long.
Data: <@é ö > 40 E9 16 20 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000184DD3C6FC0, 16 bytes long.
Data: <øW ö > F8 57 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000184DD3C7B50, 16 bytes long.
Data: <ØW ö > D8 57 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000184DD3C70B0, 16 bytes long.
Data: <P ö > 50 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000184DD3C71A0, 16 bytes long.
Data: <0 ö > 30 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000184DD3C7C90, 16 bytes long.
Data: <à ö > E0 02 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x00000184DD3C7C40, 16 bytes long.
Data: < ö > 10 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x00000184DD3C7060, 16 bytes long.
Data: <p ö > 70 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00
{52} normal block at 0x00000184DD3C7A10, 16 bytes long.
Data: < À ö > 18 C0 11 20 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra