Task 38684946
| Name | test_479-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND8676_0 |
| Workunit | 31626444 |
| Created | 27 Oct 2026, 18:42:18 UTC |
| Sent | 27 Oct 2026, 18:42:22 UTC |
| Report deadline | 1 Nov 2026, 18:42:22 UTC |
| Received | 27 Oct 2026, 19:18:05 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652497 |
| Run time | 20 min 59 sec |
| CPU time | 15 min 53 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 57,419.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 748.22 MB |
| Peak swap size | 13.04 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:57:12 (19512): wrapper (7.9.26016): starting
13:57:12 (19512): 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
13:57:14 (19512): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:57:14 (19512): 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\0\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\0\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
14:17:23 (19512): C:/Windows/system32/cmd.exe exited; CPU time 953.750000
14:17:23 (19512): 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: 22758037 bytes.
Dumping objects ->
{3835193} normal block at 0x0000023F363BD030, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835182} normal block at 0x0000023F363BD180, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835171} normal block at 0x0000023F363BD500, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835160} normal block at 0x0000023F363BCC40, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835149} normal block at 0x0000023F363BD490, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835118} normal block at 0x0000023F3811F8B0, 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) : {3835105} normal block at 0x0000023F363ACC20, 8 bytes long.
Data: < x6? > 00 00 78 36 3F 02 00 00
{3833951} normal block at 0x0000023F363AC810, 8 bytes long.
Data: <@ê 8? > 40 EA 02 38 3F 02 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000023F363AE040, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000023F363AA270, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x0000023F363BDB80, 16 bytes long.
Data: < î;6? > 18 EE 3B 36 3F 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000023F363BDBD0, 16 bytes long.
Data: <ðí;6? > F0 ED 3B 36 3F 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000023F363BA190, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x0000023F363BDC20, 16 bytes long.
Data: <Èí;6? > C8 ED 3B 36 3F 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000023F363BDB30, 16 bytes long.
Data: < í;6? > A0 ED 3B 36 3F 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000023F363BE8A0, 16 bytes long.
Data: <xí;6? > 78 ED 3B 36 3F 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000023F363BE6C0, 16 bytes long.
Data: <Pí;6? > 50 ED 3B 36 3F 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000023F363B9800, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x0000023F363BE8F0, 16 bytes long.
Data: <8º:6? > 38 BA 3A 36 3F 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000023F363BA2B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x0000023F363BE7B0, 16 bytes long.
Data: < º:6? > 10 BA 3A 36 3F 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000023F363BE620, 16 bytes long.
Data: <è¹:6? > E8 B9 3A 36 3F 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000023F363BE5D0, 16 bytes long.
Data: <À¹:6? > C0 B9 3A 36 3F 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000023F363BE580, 16 bytes long.
Data: < ¹:6? > 98 B9 3A 36 3F 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000023F363BE4E0, 16 bytes long.
Data: <p¹:6? > 70 B9 3A 36 3F 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023F363BE850, 16 bytes long.
Data: <H¹:6? > 48 B9 3A 36 3F 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000023F363BAAF0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x0000023F363BE490, 16 bytes long.
Data: < ¹:6? > 20 B9 3A 36 3F 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000023F363AB920, 320 bytes long.
Data: < ä;6? ðª;6? > 90 E4 3B 36 3F 02 00 00 F0 AA 3B 36 3F 02 00 00
{271} normal block at 0x0000023F363BE440, 16 bytes long.
Data: <0í;6? > 30 ED 3B 36 3F 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000023F363BE3F0, 16 bytes long.
Data: < í;6? > 08 ED 3B 36 3F 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000023F363BAA30, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x0000023F363BE3A0, 16 bytes long.
Data: <àì;6? > E0 EC 3B 36 3F 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000023F363BA9D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x0000023F363BE030, 16 bytes long.
Data: <(ì;6? > 28 EC 3B 36 3F 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000023F363BE350, 16 bytes long.
Data: < ì;6? > 00 EC 3B 36 3F 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000023F363BE300, 16 bytes long.
Data: <Øë;6? > D8 EB 3B 36 3F 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000023F363BE2B0, 16 bytes long.
Data: <°ë;6? > B0 EB 3B 36 3F 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000023F363BE260, 16 bytes long.
Data: < ë;6? > 88 EB 3B 36 3F 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000023F363BE1C0, 16 bytes long.
Data: <`ë;6? > 60 EB 3B 36 3F 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000023F363BDFE0, 16 bytes long.
Data: < š;6? > A0 9A 3B 36 3F 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000023F363B9AA0, 40 bytes long.
Data: <àß;6? °ø 8? > E0 DF 3B 36 3F 02 00 00 B0 F8 11 38 3F 02 00 00
{257} normal block at 0x0000023F363BDDB0, 16 bytes long.
Data: <@ë;6? > 40 EB 3B 36 3F 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000023F363BEA80, 16 bytes long.
Data: < ë;6? > 18 EB 3B 36 3F 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000023F363BAC10, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x0000023F363BE990, 16 bytes long.
Data: <ðê;6? > F0 EA 3B 36 3F 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000023F363BEAF0, 992 bytes long.
Data: < é;6? ¬;6? > 90 E9 3B 36 3F 02 00 00 10 AC 3B 36 3F 02 00 00
{89} normal block at 0x0000023F363BA0D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x0000023F363ACBD0, 16 bytes long.
Data: <à ;6? > E0 98 3B 36 3F 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x0000023F363B98E0, 40 bytes long.
Data: <ÐË:6? Р;6? > D0 CB 3A 36 3F 02 00 00 D0 A0 3B 36 3F 02 00 00
{66} normal block at 0x0000023F363AC4A0, 16 bytes long.
Data: < ê/èö > 80 EA 2F E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000023F363ACCC0, 16 bytes long.
Data: <@é/èö > 40 E9 2F E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000023F363ACB80, 16 bytes long.
Data: <øW,èö > F8 57 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000023F363ACEF0, 16 bytes long.
Data: <ØW,èö > D8 57 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000023F363AD0D0, 16 bytes long.
Data: <P ,èö > 50 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000023F363ACB30, 16 bytes long.
Data: <0 ,èö > 30 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000023F363AC7C0, 16 bytes long.
Data: <à ,èö > E0 02 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000023F363AD030, 16 bytes long.
Data: < ,èö > 10 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000023F363ACC70, 16 bytes long.
Data: <p ,èö > 70 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000023F363AD260, 16 bytes long.
Data: < À*èö > 18 C0 2A E8 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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