Task 38676869
| Name | test_416-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND8019_0 |
| Workunit | 31618762 |
| Created | 26 Oct 2026, 12:34:52 UTC |
| Sent | 26 Oct 2026, 12:34:58 UTC |
| Report deadline | 31 Oct 2026, 12:34:58 UTC |
| Received | 26 Oct 2026, 13:15:22 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 580989 |
| Run time | 23 min 20 sec |
| CPU time | 20 min 43 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 31,239.72 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 743.07 MB |
| Peak swap size | 12.96 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:52:16 (20312): wrapper (7.9.26016): starting
13:52:16 (20312): 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
13:52:17 (20312): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:52:17 (20312): 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\2\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\2\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
14:14:53 (20312): C:/Windows/system32/cmd.exe exited; CPU time 1243.796875
14:14:53 (20312): 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: 20452995 bytes.
Dumping objects ->
{3835250} normal block at 0x000001FBE4D90E60, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835239} normal block at 0x000001FBE4D90990, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835228} normal block at 0x000001FBE4D90FB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835217} normal block at 0x000001FBE4D91330, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835206} normal block at 0x000001FBE4D90F40, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835175} normal block at 0x000001FBE4E3B530, 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) : {3835162} normal block at 0x000001FBE3186ED0, 8 bytes long.
Data: < ãû > 00 00 13 E3 FB 01 00 00
{3833957} normal block at 0x000001FBE3186E80, 8 bytes long.
Data: <@×&ãû > 40 D7 26 E3 FB 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001FBE31915E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001FBE3192520, 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 0x000001FBE3193020, 16 bytes long.
Data: < = ãû > 08 3D 19 E3 FB 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001FBE3192FD0, 16 bytes long.
Data: <à< ãû > E0 3C 19 E3 FB 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001FBE318C430, 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 0x000001FBE3192EE0, 16 bytes long.
Data: <¸< ãû > B8 3C 19 E3 FB 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FBE3192E90, 16 bytes long.
Data: < < ãû > 90 3C 19 E3 FB 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001FBE3192F80, 16 bytes long.
Data: <h< ãû > 68 3C 19 E3 FB 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001FBE31926C0, 16 bytes long.
Data: <@< ãû > 40 3C 19 E3 FB 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FBE318D410, 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 0x000001FBE3193340, 16 bytes long.
Data: <¸$ ãû > B8 24 19 E3 FB 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FBE318C550, 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 0x000001FBE3192E40, 16 bytes long.
Data: < $ ãû > 90 24 19 E3 FB 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FBE3192D00, 16 bytes long.
Data: <h$ ãû > 68 24 19 E3 FB 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FBE3192CB0, 16 bytes long.
Data: <@$ ãû > 40 24 19 E3 FB 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FBE31931B0, 16 bytes long.
Data: < $ ãû > 18 24 19 E3 FB 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FBE3193110, 16 bytes long.
Data: <ð# ãû > F0 23 19 E3 FB 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001FBE3192C60, 16 bytes long.
Data: <È# ãû > C8 23 19 E3 FB 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FBE318B6B0, 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 0x000001FBE3192B70, 16 bytes long.
Data: < # ãû > A0 23 19 E3 FB 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FBE31923A0, 320 bytes long.
Data: <p+ ãû °¶ ãû > 70 2B 19 E3 FB 01 00 00 B0 B6 18 E3 FB 01 00 00
{274} normal block at 0x000001FBE3192B20, 16 bytes long.
Data: < < ãû > 20 3C 19 E3 FB 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FBE3192800, 16 bytes long.
Data: <ø; ãû > F8 3B 19 E3 FB 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FBE318BE30, 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 0x000001FBE3192AD0, 16 bytes long.
Data: <Ð; ãû > D0 3B 19 E3 FB 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FBE318B890, 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 0x000001FBE3192DF0, 16 bytes long.
Data: < ; ãû > 18 3B 19 E3 FB 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FBE3192670, 16 bytes long.
Data: <ð: ãû > F0 3A 19 E3 FB 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FBE3192A80, 16 bytes long.
Data: <È: ãû > C8 3A 19 E3 FB 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FBE3193200, 16 bytes long.
Data: < : ãû > A0 3A 19 E3 FB 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001FBE3192850, 16 bytes long.
Data: <x: ãû > 78 3A 19 E3 FB 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FBE3192BC0, 16 bytes long.
Data: <P: ãû > 50 3A 19 E3 FB 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001FBE3192710, 16 bytes long.
Data: <PÒ ãû > 50 D2 18 E3 FB 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FBE318D250, 40 bytes long.
Data: < ' ãû 0µãäû > 10 27 19 E3 FB 01 00 00 30 B5 E3 E4 FB 01 00 00
{260} normal block at 0x000001FBE3193520, 16 bytes long.
Data: <0: ãû > 30 3A 19 E3 FB 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001FBE3193570, 16 bytes long.
Data: < : ãû > 08 3A 19 E3 FB 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001FBE318C250, 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 0x000001FBE3192F30, 16 bytes long.
Data: <à9 ãû > E0 39 19 E3 FB 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001FBE31939E0, 992 bytes long.
Data: <0/ ãû PÂ ãû > 30 2F 19 E3 FB 01 00 00 50 C2 18 E3 FB 01 00 00
{92} normal block at 0x000001FBE318C1F0, 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 0x000001FBE3186E30, 16 bytes long.
Data: <pÑ ãû > 70 D1 18 E3 FB 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001FBE318D170, 40 bytes long.
Data: <0n ãû ðÁ ãû > 30 6E 18 E3 FB 01 00 00 F0 C1 18 E3 FB 01 00 00
{69} normal block at 0x000001FBE31873D0, 16 bytes long.
Data: < ê¶ ÷ > 80 EA B6 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FBE31875B0, 16 bytes long.
Data: <@é¶ ÷ > 40 E9 B6 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FBE31870B0, 16 bytes long.
Data: <øW³ ÷ > F8 57 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FBE3186B10, 16 bytes long.
Data: <ØW³ ÷ > D8 57 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FBE3186D40, 16 bytes long.
Data: <P ³ ÷ > 50 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001FBE3187560, 16 bytes long.
Data: <0 ³ ÷ > 30 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001FBE3187740, 16 bytes long.
Data: <à ³ ÷ > E0 02 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001FBE3187510, 16 bytes long.
Data: < ³ ÷ > 10 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001FBE3186AC0, 16 bytes long.
Data: <p ³ ÷ > 70 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001FBE3187060, 16 bytes long.
Data: < À± ÷ > 18 C0 B1 00 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra