Task 38684290
| Name | test_975-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND4681_0 |
| Workunit | 31625809 |
| Created | 27 Oct 2026, 15:40:39 UTC |
| Sent | 27 Oct 2026, 15:40:42 UTC |
| Report deadline | 1 Nov 2026, 15:40:42 UTC |
| Received | 27 Oct 2026, 16:44:12 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652497 |
| Run time | 21 min 12 sec |
| CPU time | 15 min 52 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 | 750.00 MB |
| Peak swap size | 13.05 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:23:09 (6080): wrapper (7.9.26016): starting
11:23:09 (6080): 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
11:23:10 (6080): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:23:10 (6080): 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: Exiting with failure status due to previous errors
11:43:33 (6080): C:/Windows/system32/cmd.exe exited; CPU time 952.187500
11:43:33 (6080): 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: 22973709 bytes.
Dumping objects ->
{3835193} normal block at 0x000001CAB1ABCF50, 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 0x000001CAB1ABD180, 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 0x000001CAB1ABD2D0, 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 0x000001CAB1ABD110, 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 0x000001CAB1ABCCB0, 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 0x000001CAB37E3630, 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 0x000001CAB1AACA40, 8 bytes long.
Data: < ¦±Ê > 00 00 A6 B1 CA 01 00 00
{3833951} normal block at 0x000001CAB1AACBD0, 8 bytes long.
Data: <@ên³Ê > 40 EA 6E B3 CA 01 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001CAB1AADB40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001CAB1AAAD20, 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 0x000001CAB1ABDC70, 16 bytes long.
Data: < î«±Ê > 18 EE AB B1 CA 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001CAB1ABDC20, 16 bytes long.
Data: <ðí«±Ê > F0 ED AB B1 CA 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001CAB1ABA310, 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 0x000001CAB1ABDB80, 16 bytes long.
Data: <Èí«±Ê > C8 ED AB B1 CA 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001CAB1ABDB30, 16 bytes long.
Data: < í«±Ê > A0 ED AB B1 CA 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001CAB1ABDE00, 16 bytes long.
Data: <xí«±Ê > 78 ED AB B1 CA 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001CAB1ABDD60, 16 bytes long.
Data: <Pí«±Ê > 50 ED AB B1 CA 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001CAB1AB9AA0, 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 0x000001CAB1ABEA80, 16 bytes long.
Data: <8ºª±Ê > 38 BA AA B1 CA 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001CAB1ABA490, 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 0x000001CAB1ABEA30, 16 bytes long.
Data: < ºª±Ê > 10 BA AA B1 CA 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001CAB1ABE710, 16 bytes long.
Data: <蹪±Ê > E8 B9 AA B1 CA 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001CAB1ABDF90, 16 bytes long.
Data: <À¹ª±Ê > C0 B9 AA B1 CA 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001CAB1ABE9E0, 16 bytes long.
Data: < ¹ª±Ê > 98 B9 AA B1 CA 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001CAB1ABDEA0, 16 bytes long.
Data: <p¹ª±Ê > 70 B9 AA B1 CA 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001CAB1ABE6C0, 16 bytes long.
Data: <H¹ª±Ê > 48 B9 AA B1 CA 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001CAB1ABA910, 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 0x000001CAB1ABE210, 16 bytes long.
Data: < ¹ª±Ê > 20 B9 AA B1 CA 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001CAB1AAB920, 320 bytes long.
Data: < â«±Ê ©«±Ê > 10 E2 AB B1 CA 01 00 00 10 A9 AB B1 CA 01 00 00
{271} normal block at 0x000001CAB1ABE0D0, 16 bytes long.
Data: <0í«±Ê > 30 ED AB B1 CA 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001CAB1ABE800, 16 bytes long.
Data: < í«±Ê > 08 ED AB B1 CA 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001CAB1ABA5B0, 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 0x000001CAB1ABE670, 16 bytes long.
Data: <àì«±Ê > E0 EC AB B1 CA 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001CAB1ABADF0, 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 0x000001CAB1ABE990, 16 bytes long.
Data: <(ì«±Ê > 28 EC AB B1 CA 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001CAB1ABE8A0, 16 bytes long.
Data: < ì«±Ê > 00 EC AB B1 CA 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001CAB1ABE7B0, 16 bytes long.
Data: <Øë«±Ê > D8 EB AB B1 CA 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001CAB1ABE030, 16 bytes long.
Data: <°ë«±Ê > B0 EB AB B1 CA 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001CAB1ABE530, 16 bytes long.
Data: < ë«±Ê > 88 EB AB B1 CA 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001CAB1ABE8F0, 16 bytes long.
Data: <`ë«±Ê > 60 EB AB B1 CA 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001CAB1ABE850, 16 bytes long.
Data: <P «±Ê > 50 99 AB B1 CA 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001CAB1AB9950, 40 bytes long.
Data: <Pè«±Ê 06~³Ê > 50 E8 AB B1 CA 01 00 00 30 36 7E B3 CA 01 00 00
{257} normal block at 0x000001CAB1ABDFE0, 16 bytes long.
Data: <@ë«±Ê > 40 EB AB B1 CA 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001CAB1ABE440, 16 bytes long.
Data: < ë«±Ê > 18 EB AB B1 CA 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001CAB1ABA250, 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 0x000001CAB1ABE620, 16 bytes long.
Data: <ðê«±Ê > F0 EA AB B1 CA 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001CAB1ABEAF0, 992 bytes long.
Data: < æ«±Ê P¢«±Ê > 20 E6 AB B1 CA 01 00 00 50 A2 AB B1 CA 01 00 00
{89} normal block at 0x000001CAB1ABA7F0, 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 0x000001CAB1AACA90, 16 bytes long.
Data: <0š«±Ê > 30 9A AB B1 CA 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000001CAB1AB9A30, 40 bytes long.
Data: < ʪ±Ê ð§«±Ê > 90 CA AA B1 CA 01 00 00 F0 A7 AB B1 CA 01 00 00
{66} normal block at 0x000001CAB1AAD0D0, 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 0x000001CAB1AAC720, 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 0x000001CAB1AAC3B0, 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 0x000001CAB1AACD10, 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 0x000001CAB1AAC310, 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 0x000001CAB1AAC770, 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 0x000001CAB1AAC9A0, 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 0x000001CAB1AACB30, 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 0x000001CAB1AACAE0, 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 0x000001CAB1AAC950, 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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