Task 38697932
| Name | test_787-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND1956_0 |
| Workunit | 31638471 |
| Created | 2 Nov 2026, 0:17:29 UTC |
| Sent | 2 Nov 2026, 0:17:35 UTC |
| Report deadline | 7 Nov 2026, 0:17:35 UTC |
| Received | 2 Nov 2026, 1:40:53 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630817 |
| Run time | 48 min 18 sec |
| CPU time | 43 min 37 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,451.30 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 752.80 MB |
| Peak swap size | 24.91 GB |
| Peak disk usage | 3.27 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:55:13 (14780): wrapper (7.9.26016): starting
00:55:13 (14780): 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
00:55:18 (14780): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:55:18 (14780): 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\15\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\15\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 2026-11-02 03:14:37 is 8334.3154168 s in the future
tar: r1/checkpoint.xml: time stamp 2026-11-02 03:14:39 is 8335.5828171 s in the future
tar: r10/checkpoint.xml: time stamp 2026-11-02 03:14:54 is 8349.8418254 s in the future
tar: r11/checkpoint.xml: time stamp 2026-11-02 03:14:56 is 8351.0431204 s in the future
tar: r12/checkpoint.xml: time stamp 2026-11-02 03:14:57 is 8351.364488 s in the future
tar: r13/checkpoint.xml: time stamp 2026-11-02 03:14:59 is 8352.6248649 s in the future
tar: r14/checkpoint.xml: time stamp 2026-11-02 03:15:01 is 8353.9102709 s in the future
tar: r15/checkpoint.xml: time stamp 2026-11-02 03:15:03 is 8355.1807573 s in the future
tar: r16/checkpoint.xml: time stamp 2026-11-02 03:15:04 is 8355.4010992 s in the future
tar: r17/checkpoint.xml: time stamp 2026-11-02 03:15:06 is 8356.7174939 s in the future
tar: r18/checkpoint.xml: time stamp 2026-11-02 03:15:07 is 8357.0004052 s in the future
tar: r19/checkpoint.xml: time stamp 2026-11-02 03:15:09 is 8358.2963016 s in the future
tar: r2/checkpoint.xml: time stamp 2026-11-02 03:14:41 is 8329.439753 s in the future
tar: r20/checkpoint.xml: time stamp 2026-11-02 03:15:10 is 8357.6880819 s in the future
tar: r21/checkpoint.xml: time stamp 2026-11-02 03:15:12 is 8358.965759 s in the future
tar: r3/checkpoint.xml: time stamp 2026-11-02 03:14:42 is 8328.2530223 s in the future
tar: r4/checkpoint.xml: time stamp 2026-11-02 03:14:44 is 8329.5388722 s in the future
tar: r5/checkpoint.xml: time stamp 2026-11-02 03:14:46 is 8330.8431635 s in the future
tar: r6/checkpoint.xml: time stamp 2026-11-02 03:14:47 is 8331.1102365 s in the future
tar: r7/checkpoint.xml: time stamp 2026-11-02 03:14:49 is 8332.3214027 s in the future
tar: r8/checkpoint.xml: time stamp 2026-11-02 03:14:50 is 8332.569255 s in the future
tar: r9/checkpoint.xml: time stamp 2026-11-02 03:14:52 is 8333.8815015 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
01:40:22 (14780): C:/Windows/system32/cmd.exe exited; CPU time 2617.046875
01:40:22 (14780): 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: 51157243 bytes.
Dumping objects ->
{3835233} normal block at 0x0000017FE56E0C30, 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 0x0000017FE56E0F40, 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 0x0000017FE56E1090, 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 0x0000017FE56E1560, 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 0x0000017FE56E0B50, 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 0x0000017FE57D4930, 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 0x0000017FE3957350, 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) : {3835144} normal block at 0x0000017FE39325C0, 8 bytes long.
Data: < ã > 00 00 8F E3 7F 01 00 00
{3834543} normal block at 0x0000017FE39578F0, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833943} normal block at 0x0000017FE39320C0, 8 bytes long.
Data: <à †å > E0 1A 86 E5 7F 01 00 00
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x0000017FE3930E50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000017FE391D3E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{287} normal block at 0x0000017FE3932570, 16 bytes long.
Data: <ØE“ã > D8 45 93 E3 7F 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000017FE3932480, 16 bytes long.
Data: <°E“ã > B0 45 93 E3 7F 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000017FE392D2F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{284} normal block at 0x0000017FE3932B10, 16 bytes long.
Data: < E“ã > 88 45 93 E3 7F 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000017FE3932AC0, 16 bytes long.
Data: <`E“ã > 60 45 93 E3 7F 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000017FE3932D40, 16 bytes long.
Data: <8E“ã > 38 45 93 E3 7F 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000017FE3932430, 16 bytes long.
Data: < E“ã > 10 45 93 E3 7F 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000017FE392BD40, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{279} normal block at 0x0000017FE3932390, 16 bytes long.
Data: <xÏ’ã > 78 CF 92 E3 7F 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000017FE392DE90, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{277} normal block at 0x0000017FE3932A20, 16 bytes long.
Data: <PÏ’ã > 50 CF 92 E3 7F 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000017FE3931FD0, 16 bytes long.
Data: <(Ï’ã > 28 CF 92 E3 7F 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000017FE39322F0, 16 bytes long.
Data: < Ï’ã > 00 CF 92 E3 7F 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000017FE3932250, 16 bytes long.
Data: <ØÎ’ã > D8 CE 92 E3 7F 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000017FE3931F30, 16 bytes long.
Data: <°Î’ã > B0 CE 92 E3 7F 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000017FE3932840, 16 bytes long.
Data: < Î’ã > 88 CE 92 E3 7F 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000017FE392DD10, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{269} normal block at 0x0000017FE3932A70, 16 bytes long.
Data: <`Î’ã > 60 CE 92 E3 7F 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000017FE392CE60, 320 bytes long.
Data: <p*“ã Ý’ã > 70 2A 93 E3 7F 01 00 00 10 DD 92 E3 7F 01 00 00
{267} normal block at 0x0000017FE3932C50, 16 bytes long.
Data: <ðD“ã > F0 44 93 E3 7F 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000017FE3932E30, 16 bytes long.
Data: <ÈD“ã > C8 44 93 E3 7F 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000017FE392D290, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{264} normal block at 0x0000017FE39324D0, 16 bytes long.
Data: < D“ã > A0 44 93 E3 7F 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000017FE392D4D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{262} normal block at 0x0000017FE39329D0, 16 bytes long.
Data: <èC“ã > E8 43 93 E3 7F 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000017FE3932C00, 16 bytes long.
Data: <ÀC“ã > C0 43 93 E3 7F 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000017FE3932200, 16 bytes long.
Data: < C“ã > 98 43 93 E3 7F 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000017FE3932160, 16 bytes long.
Data: <pC“ã > 70 43 93 E3 7F 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000017FE3931EE0, 16 bytes long.
Data: <HC“ã > 48 43 93 E3 7F 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000017FE3932340, 16 bytes long.
Data: < C“ã > 20 43 93 E3 7F 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000017FE39327A0, 16 bytes long.
Data: <€Â’ã > 80 C2 92 E3 7F 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000017FE392C280, 40 bytes long.
Data: < '“ã 0I}å > A0 27 93 E3 7F 01 00 00 30 49 7D E5 7F 01 00 00
{253} normal block at 0x0000017FE3932070, 16 bytes long.
Data: < C“ã > 00 43 93 E3 7F 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000017FE39321B0, 16 bytes long.
Data: <ØB“ã > D8 42 93 E3 7F 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x0000017FE392DAD0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{250} normal block at 0x0000017FE3932BB0, 16 bytes long.
Data: <°B“ã > B0 42 93 E3 7F 01 00 00 00 00 00 00 00 00 00 00
{249} normal block at 0x0000017FE39342B0, 992 bytes long.
Data: <°+“ã ÐÚ’ã > B0 2B 93 E3 7F 01 00 00 D0 DA 92 E3 7F 01 00 00
{85} normal block at 0x0000017FE392D9B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{84} normal block at 0x0000017FE3924750, 16 bytes long.
Data: < Â’ã > 10 C2 92 E3 7F 01 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x0000017FE392C210, 40 bytes long.
Data: <PG’ã °Ù’ã > 50 47 92 E3 7F 01 00 00 B0 D9 92 E3 7F 01 00 00
{62} normal block at 0x0000017FE39241B0, 16 bytes long.
Data: <€ê +ö > 80 EA 20 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000017FE3924700, 16 bytes long.
Data: <@é +ö > 40 E9 20 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000017FE39246B0, 16 bytes long.
Data: <øW +ö > F8 57 1D 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000017FE39245C0, 16 bytes long.
Data: <ØW +ö > D8 57 1D 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000017FE3924F20, 16 bytes long.
Data: <P +ö > 50 04 1D 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000017FE3924B10, 16 bytes long.
Data: <0 +ö > 30 04 1D 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000017FE3924930, 16 bytes long.
Data: <à +ö > E0 02 1D 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000017FE3924ED0, 16 bytes long.
Data: < +ö > 10 04 1D 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000017FE3924E30, 16 bytes long.
Data: <p +ö > 70 04 1D 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x0000017FE3924160, 16 bytes long.
Data: < À +ö > 18 C0 1B 2B F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra