Task 38663846

Name test_603-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND8577_0
Workunit 31607038
Created 24 Oct 2026, 22:47:37 UTC
Sent 24 Oct 2026, 22:47:50 UTC
Report deadline 29 Oct 2026, 22:47:50 UTC
Received 25 Oct 2026, 4:35:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651032
Run time 1 hours 26 min 48 sec
CPU time 1 hours 16 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,503.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 707.42 MB
Peak swap size 6.72 GB
Peak disk usage 3.78 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:10:12 (28188): wrapper (7.9.26016): starting
04:10:12 (28188): 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
04:10:15 (28188): Library/usr/bin/tar.exe exited; CPU time 0.031250
04:10:15 (28188): 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 'D:\BOINC\slots\16\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 'D:\BOINC\slots\16\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
05:34:40 (28188): C:/Windows/system32/cmd.exe exited; CPU time 4612.078125
05:34:40 (28188): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 121306609 bytes.
Dumping objects ->
{3835538} normal block at 0x000001C2F03B7700, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835527} normal block at 0x000001C2F2107C10, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835516} normal block at 0x000001C2F21083F0, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835505} normal block at 0x000001C2F2108090, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835494} normal block at 0x000001C2F2108390, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835463} normal block at 0x000001C2F03B7690, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835452} normal block at 0x000001C2F041BD50, 140 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) : {3835449} normal block at 0x000001C2F03AEAC0, 8 bytes long.
 Data: <  &#150;&#240;&#194;   > 00 00 96 F0 C2 01 00 00 
{3834706} normal block at 0x000001C2F041B7A0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x000001C2F03AEA70, 8 bytes long.
 Data: < m &#242;&#194;   > 10 6D 11 F2 C2 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001C2F03AF760, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001C2F03A7B50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000001C2F03B6070, 16 bytes long.
 Data: <Hu;&#240;&#194;           > 48 75 3B F0 C2 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001C2F03B6110, 16 bytes long.
 Data: < u;&#240;&#194;           > 20 75 3B F0 C2 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001C2F03B1230, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000001C2F03B5EE0, 16 bytes long.
 Data: <&#248;t;&#240;&#194;           > F8 74 3B F0 C2 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001C2F03B6610, 16 bytes long.
 Data: <&#208;t;&#240;&#194;           > D0 74 3B F0 C2 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C2F03B6A20, 16 bytes long.
 Data: <&#168;t;&#240;&#194;           > A8 74 3B F0 C2 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001C2F03B5DA0, 16 bytes long.
 Data: < t;&#240;&#194;           > 80 74 3B F0 C2 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C2F03B7A10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000001C2F03B6340, 16 bytes long.
 Data: <&#168;&#253;9&#240;&#194;           > A8 FD 39 F0 C2 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C2F03B1410, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000001C2F03B69D0, 16 bytes long.
 Data: < &#253;9&#240;&#194;           > 80 FD 39 F0 C2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C2F03B6C00, 16 bytes long.
 Data: <X&#253;9&#240;&#194;           > 58 FD 39 F0 C2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C2F03B6020, 16 bytes long.
 Data: <0&#253;9&#240;&#194;           > 30 FD 39 F0 C2 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C2F03B62F0, 16 bytes long.
 Data: < &#253;9&#240;&#194;           > 08 FD 39 F0 C2 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C2F03B6660, 16 bytes long.
 Data: <&#224;&#252;9&#240;&#194;           > E0 FC 39 F0 C2 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C2F03B6570, 16 bytes long.
 Data: <&#184;&#252;9&#240;&#194;           > B8 FC 39 F0 C2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C2F03B1650, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000001C2F03B64D0, 16 bytes long.
 Data: < &#252;9&#240;&#194;           > 90 FC 39 F0 C2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C2F039FC90, 320 bytes long.
 Data: <&#208;d;&#240;&#194;   P ;&#240;&#194;   > D0 64 3B F0 C2 01 00 00 50 16 3B F0 C2 01 00 00 
{281} normal block at 0x000001C2F03B6980, 16 bytes long.
 Data: <`t;&#240;&#194;           > 60 74 3B F0 C2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C2F03B5E90, 16 bytes long.
 Data: <8t;&#240;&#194;           > 38 74 3B F0 C2 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C2F03B1950, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000001C2F03B5DF0, 16 bytes long.
 Data: < t;&#240;&#194;           > 10 74 3B F0 C2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C2F03B18F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000001C2F03B62A0, 16 bytes long.
 Data: <Xs;&#240;&#194;           > 58 73 3B F0 C2 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C2F03B6480, 16 bytes long.
 Data: <0s;&#240;&#194;           > 30 73 3B F0 C2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C2F03B6520, 16 bytes long.
 Data: < s;&#240;&#194;           > 08 73 3B F0 C2 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C2F03B5FD0, 16 bytes long.
 Data: <&#224;r;&#240;&#194;           > E0 72 3B F0 C2 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C2F03B6930, 16 bytes long.
 Data: <&#184;r;&#240;&#194;           > B8 72 3B F0 C2 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C2F03B68E0, 16 bytes long.
 Data: < r;&#240;&#194;           > 90 72 3B F0 C2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C2F03B5D50, 16 bytes long.
 Data: <  ;&#240;&#194;           > 90 07 3B F0 C2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C2F03B0790, 40 bytes long.
 Data: <P];&#240;&#194;    v;&#240;&#194;   > 50 5D 3B F0 C2 01 00 00 90 76 3B F0 C2 01 00 00 
{267} normal block at 0x000001C2F03B6750, 16 bytes long.
 Data: <pr;&#240;&#194;           > 70 72 3B F0 C2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C2F03B5CB0, 16 bytes long.
 Data: <Hr;&#240;&#194;           > 48 72 3B F0 C2 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C2F03B1530, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000001C2F03B6430, 16 bytes long.
 Data: < r;&#240;&#194;           > 20 72 3B F0 C2 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C2F03B7220, 992 bytes long.
 Data: <0d;&#240;&#194;   0 ;&#240;&#194;   > 30 64 3B F0 C2 01 00 00 30 15 3B F0 C2 01 00 00 
{99} normal block at 0x000001C2F03B17D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000001C2F03AEF70, 16 bytes long.
 Data: < M:&#240;&#194;           > 20 4D 3A F0 C2 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001C2F03A4D20, 40 bytes long.
 Data: <p&#239;:&#240;&#194;   &#208; ;&#240;&#194;   > 70 EF 3A F0 C2 01 00 00 D0 17 3B F0 C2 01 00 00 
{76} normal block at 0x000001C2F03AE980, 16 bytes long.
 Data: < &#234;b&#185;&#246;           > 80 EA 62 B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001C2F03AE5C0, 16 bytes long.
 Data: <@&#233;b&#185;&#246;           > 40 E9 62 B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001C2F03AE570, 16 bytes long.
 Data: <&#248;W_&#185;&#246;           > F8 57 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001C2F03AE9D0, 16 bytes long.
 Data: <&#216;W_&#185;&#246;           > D8 57 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001C2F03AE4D0, 16 bytes long.
 Data: <P _&#185;&#246;           > 50 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001C2F03AE7F0, 16 bytes long.
 Data: <0 _&#185;&#246;           > 30 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001C2F03AE480, 16 bytes long.
 Data: <&#224; _&#185;&#246;           > E0 02 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C2F03AE6B0, 16 bytes long.
 Data: <  _&#185;&#246;           > 10 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C2F03AE750, 16 bytes long.
 Data: <p _&#185;&#246;           > 70 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C2F03AE520, 16 bytes long.
 Data: < &#192;]&#185;&#246;           > 18 C0 5D B9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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