Task 38677208

Name test_74-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND7783_0
Workunit 31619089
Created 26 Oct 2026, 13:37:33 UTC
Sent 26 Oct 2026, 13:37:38 UTC
Report deadline 31 Oct 2026, 13:37:38 UTC
Received 26 Oct 2026, 14:11:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 494803
Run time 30 min 6 sec
CPU time 27 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,067.36 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 675.34 MB
Peak swap size 3.80 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:42:38 (13572): wrapper (7.9.26016): starting
14:42:38 (13572): 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
14:42:40 (13572): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:42:40 (13572): 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 'E:\BOINC\slots\6\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 'E:\BOINC\slots\6\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
15:11:26 (13572): C:/Windows/system32/cmd.exe exited; CPU time 1628.484375
15:11:26 (13572): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 29373897 bytes.
Dumping objects ->
{3835522} normal block at 0x0000018BEF117890, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835511} normal block at 0x0000018BF0C055E0, 32 bytes long.
 Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835500} normal block at 0x0000018BF0C054C0, 32 bytes long.
 Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835489} normal block at 0x0000018BF0C05580, 32 bytes long.
 Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835478} normal block at 0x0000018BF0C05520, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835447} normal block at 0x0000018BEF1173C0, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835434} normal block at 0x0000018BEF0E7FA0, 8 bytes long.
 Data: <   &#239;&#139;   > 00 00 0C EF 8B 01 00 00 
{3833955} normal block at 0x0000018BEF0E77D0, 8 bytes long.
 Data: <0 &#193;&#240;&#139;   > 30 18 C1 F0 8B 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000018BEF0F2620, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000018BEF0DD910, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000018BEF0F40B0, 16 bytes long.
 Data: <XH &#239;&#139;           > 58 48 0F EF 8B 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018BEF0F3E30, 16 bytes long.
 Data: <0H &#239;&#139;           > 30 48 0F EF 8B 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018BEF0EC8A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000018BEF0F3B10, 16 bytes long.
 Data: < H &#239;&#139;           > 08 48 0F EF 8B 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018BEF0F3C50, 16 bytes long.
 Data: <&#224;G &#239;&#139;           > E0 47 0F EF 8B 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018BEF0F3A20, 16 bytes long.
 Data: <&#184;G &#239;&#139;           > B8 47 0F EF 8B 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018BEF0F3890, 16 bytes long.
 Data: < G &#239;&#139;           > 90 47 0F EF 8B 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018BEF0EE180, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000018BEF0F37A0, 16 bytes long.
 Data: < &#197; &#239;&#139;           > 98 C5 0D EF 8B 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018BEF0EC960, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000018BEF0F4470, 16 bytes long.
 Data: <p&#197; &#239;&#139;           > 70 C5 0D EF 8B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018BEF0F3980, 16 bytes long.
 Data: <H&#197; &#239;&#139;           > 48 C5 0D EF 8B 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018BEF0F4420, 16 bytes long.
 Data: < &#197; &#239;&#139;           > 20 C5 0D EF 8B 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018BEF0F3660, 16 bytes long.
 Data: <&#248;&#196; &#239;&#139;           > F8 C4 0D EF 8B 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018BEF0F4060, 16 bytes long.
 Data: <&#208;&#196; &#239;&#139;           > D0 C4 0D EF 8B 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018BEF0F3C00, 16 bytes long.
 Data: <&#168;&#196; &#239;&#139;           > A8 C4 0D EF 8B 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018BEF0ECC60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000018BEF0F4010, 16 bytes long.
 Data: < &#196; &#239;&#139;           > 80 C4 0D EF 8B 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018BEF0DC480, 320 bytes long.
 Data: < @ &#239;&#139;   `&#204; &#239;&#139;   > 10 40 0F EF 8B 01 00 00 60 CC 0E EF 8B 01 00 00 
{273} normal block at 0x0000018BEF0F43D0, 16 bytes long.
 Data: <pG &#239;&#139;           > 70 47 0F EF 8B 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018BEF0F4380, 16 bytes long.
 Data: <HG &#239;&#139;           > 48 47 0F EF 8B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018BEF0ECC00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000018BEF0F3BB0, 16 bytes long.
 Data: < G &#239;&#139;           > 20 47 0F EF 8B 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018BEF0EC7E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000018BEF0F3E80, 16 bytes long.
 Data: <hF &#239;&#139;           > 68 46 0F EF 8B 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018BEF0F3750, 16 bytes long.
 Data: <@F &#239;&#139;           > 40 46 0F EF 8B 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018BEF0F38E0, 16 bytes long.
 Data: < F &#239;&#139;           > 18 46 0F EF 8B 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018BEF0F3700, 16 bytes long.
 Data: <&#240;E &#239;&#139;           > F0 45 0F EF 8B 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018BEF0F3610, 16 bytes long.
 Data: <&#200;E &#239;&#139;           > C8 45 0F EF 8B 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018BEF0F3AC0, 16 bytes long.
 Data: <&#160;E &#239;&#139;           > A0 45 0F EF 8B 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018BEF0F42E0, 16 bytes long.
 Data: <&#240;&#225; &#239;&#139;           > F0 E1 0E EF 8B 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000018BEF0EE1F0, 40 bytes long.
 Data: <&#224;B &#239;&#139;   &#192;s &#239;&#139;   > E0 42 0F EF 8B 01 00 00 C0 73 11 EF 8B 01 00 00 
{259} normal block at 0x0000018BEF0F4240, 16 bytes long.
 Data: < E &#239;&#139;           > 80 45 0F EF 8B 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000018BEF0F3570, 16 bytes long.
 Data: <XE &#239;&#139;           > 58 45 0F EF 8B 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000018BEF0ECCC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000018BEF0F4290, 16 bytes long.
 Data: <0E &#239;&#139;           > 30 45 0F EF 8B 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000018BEF0F4530, 992 bytes long.
 Data: < B &#239;&#139;   &#192;&#204; &#239;&#139;   > 90 42 0F EF 8B 01 00 00 C0 CC 0E EF 8B 01 00 00 
{91} normal block at 0x0000018BEF0ECB40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000018BEF0E7E60, 16 bytes long.
 Data: < &#225; &#239;&#139;           > 10 E1 0E EF 8B 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000018BEF0EE110, 40 bytes long.
 Data: <`~ &#239;&#139;   @&#203; &#239;&#139;   > 60 7E 0E EF 8B 01 00 00 40 CB 0E EF 8B 01 00 00 
{68} normal block at 0x0000018BEF0E8220, 16 bytes long.
 Data: < &#234;j&#140;&#246;           > 80 EA 6A 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018BEF0E7F50, 16 bytes long.
 Data: <@&#233;j&#140;&#246;           > 40 E9 6A 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018BEF0E7A00, 16 bytes long.
 Data: <&#248;Wg&#140;&#246;           > F8 57 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018BEF0E78C0, 16 bytes long.
 Data: <&#216;Wg&#140;&#246;           > D8 57 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018BEF0E82C0, 16 bytes long.
 Data: <P g&#140;&#246;           > 50 04 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000018BEF0E75F0, 16 bytes long.
 Data: <0 g&#140;&#246;           > 30 04 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000018BEF0E7820, 16 bytes long.
 Data: <&#224; g&#140;&#246;           > E0 02 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000018BEF0E81D0, 16 bytes long.
 Data: <  g&#140;&#246;           > 10 04 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000018BEF0E8180, 16 bytes long.
 Data: <p g&#140;&#246;           > 70 04 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000018BEF0E84F0, 16 bytes long.
 Data: < &#192;e&#140;&#246;           > 18 C0 65 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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